Chem
J-GLOBAL ID：200907052258710606   Nikkaji number：J2.462.448J

9-[4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-ylmethyl)phenyl]-5,6-[1-methylvinylene(dimethylmethylene)imino]-3H-xanthene-3-ylideneiminium

9-[4-(1,4-ジオキサ-8-アザスピロ[4.5]デカン-8-イルメチル)フェニル]-5,6-[1-メチルビニレン(ジメチルメチレン)イミノ]-3H-キサンテン-3-イリデンイミニウム
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： C33H36N2[N+]O3
Molecular formula furigana： C33-H36-N3-O3
Molecular weight： 522.668
InChI： InChI=1S/C33H35N3O3/c1-21-19-32(2,3)35-27-11-10-26-30(25-9-8-24(34)18-28(25)39-31(26)29(21)27)23-6-4-22(5-7-23)20-36-14-12-33(13-15-36)37-16-17-38-33/h4-11,18-19,34-35H,12-17,20H2,1-3H3/p+1
InChI key： XDALTFWWHMMSSE-UHFFFAOYSA-O
SMILES： CC1=CC(C)(C)Nc2ccc3c(c4ccc(CN5CCC6(CC5)OCCO6)cc4)c4ccc(=[NH2+])cc4oc3c12
Systematic name  (3)：
  • 9-[4-(1,4-ジオキサ-8-アザスピロ[4.5]デカン-8-イルメチル)フェニル]-5,6-[1-メチルビニレン(ジメチルメチレン)イミノ]-3H-キサンテン-3-イリデンイミニウム
  • 10-[4-({1,4-ジオキサ-8-アザスピロ[4.5]デカン-8-イル}メチル)フェニル]-2,2,4-トリメチル-2,7-ジヒドロ-1H-5-オキサ-1-アザテトラフェン-7-イミニウム
  • 10-[4-({1,4-dioxa-8-azaspiro[4.5]decan-8-yl}methyl)phenyl]-2,2,4-trimethyl-2,7-dihydro-1H-5-oxa-1-azatetraphen-7-iminium
Other name (1)：
  • 9-[4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-ylmethyl)phenyl]-5,6-[1-methylvinylene(dimethylmethylene)imino]-3H-xanthene-3-ylideneiminium
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