Chem
J-GLOBAL ID：201207052092701285   Nikkaji number：J3.112.770J

Nakijinamine I

ナキジナミンI
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： C24H22BrN3[N+]O2
Molecular formula furigana： C24-H22-BR-N4-O2
Molecular weight： 478.369
InChI： InChI=1S/C24H22BrN4O2/c1-29(2,3)24-22(16-12-28-18-11-14(25)4-5-15(16)18)30-19-10-13-6-8-26-17-7-9-27-21(20(13)17)23(19)31-24/h4-12,22,24,27-28H,1-3H3/q+1/t22-,24+/m1/s1
InChI key： RLGKPWCCFKRTNY-VWNXMTODSA-N
SMILES： C[N+](C)(C)[C@H]1Oc2c(O[C@@H]1c1c[nH]c3cc(Br)ccc13)cc1ccnc3cc[nH]c2c13
Systematic name  (3)：
  • N,N,N-トリメチル-9α-(6-ブロモ-1H-インドール-3-イル)-9,10-ジヒドロ-1,4-ジアザ-8,11-ジオキサ-1H-ベンゾ[de]アントラセン-10β-アミニウム
  • (4S,5R)-5-(6-ブロモ-1H-インドール-3-イル)-N,N,N-トリメチル-3,6-ジオキサ-12,16-ジアザテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-1(17),2(7),8,10,12,14-ヘキサエン-4-アミニウム
  • (4S,5R)-5-(6-bromo-1H-indol-3-yl)-N,N,N-trimethyl-3,6-dioxa-12,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),8,10,12,14-hexaen-4-aminium
Other name (3)：
  • N,N,N-Trimethyl-9α-(6-bromo-1H-indole-3-yl)-9,10-dihydro-1,4-diaza-8,11-dioxa-1H-benzo[de]anthracene-10β-aminium
  • ナキジナミンI
  • Nakijinamine I
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