Chem
J-GLOBAL ID：200907030066287005   Nikkaji number：J1.954.844I

9-[2-(Piperazinocarbonyl)phenyl]-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i′j′]diquinolizine-4-ium

9-[2-(ピペラジノカルボニル)フェニル]-2,3,6,7,12,13,16,17-オクタヒドロ-1H,5H,11H,15H-キサンテノ[2,3,4-ij:5,6,7-i′j′]ジキノリジン-4-イウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C36H39N3[N+]O2
Molecular formula furigana： C36-H39-N4-O2
Molecular weight： 559.733
InChI： InChI=1S/C36H39N4O2/c41-36(40-19-13-37-14-20-40)26-10-2-1-9-25(26)31-29-21-23-7-3-15-38-17-5-11-27(32(23)38)34(29)42-35-28-12-6-18-39-16-4-8-24(33(28)39)22-30(31)35/h1-2,9-10,21-22,37H,3-8,11-20H2/q+1
InChI key： CAWJIJRHFHMCGY-UHFFFAOYSA-N
SMILES： O=C(N1CCNCC1)c1ccccc1C1=c2cc3CCC[N+]4=c3c(CCC4)c2Oc2c3CCCN4CCCc(cc12)c34
Systematic name  (3)：
  • 9-[2-(ピペラジノカルボニル)フェニル]-2,3,6,7,12,13,16,17-オクタヒドロ-1H,5H,11H,15H-キサンテノ[2,3,4-ij:5,6,7-i′j′]ジキノリジン-4-イウム
  • 16-[2-(ピペラジン-1-カルボニル)フェニル]-3-オキサ-9λ5,23-ジアザヘプタシクロ[17.7.1.15,9.02,17.04,15.023,27.013,28]オクタコサ-1,4,9(28),13,15,17,19(27)-ヘプタエン-9-イリウム
  • 16-[2-(piperazine-1-carbonyl)phenyl]-3-oxa-9λ5,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1,4,9(28),13,15,17,19(27)-heptaen-9-ylium
Other name (1)：
  • 9-[2-(Piperazinocarbonyl)phenyl]-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i′j′]diquinolizine-4-ium
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