Chem
J-GLOBAL ID:200907077345157690
Nikkaji number:J82.023G
Demecarium
デメカリウム
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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:
C32 H52 N2 [N+]2 O4
Molecular formula furigana:
C32-H52-N4-O4
Molecular weight:
556.791
InChI:
InChI=1S/C32H52N4O4/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8/h17-22,25-26H,9-16,23-24H2,1-8H3/q+2
InChI key:
RWZVPVOZTJJMNU-UHFFFAOYSA-N
SMILES:
CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Systematic name (4):
3,3′-[(1,10-デカンジイル)ビス[(メチルイミノ)カルボニルオキシ]]ビス[N,N,N-トリメチルベンゼンアミニウム]
3,3′-[1,10-デカンジイルビス[(メチルイミノ)カルボニルオキシ]]ビス[N,N,N-トリメチルベンゼンアミニウム]
N,N,N-トリメチル-3-{[メチル({10-[メチル({[3-(トリメチルアザニウミル)フェノキシ]カルボニル})アミノ]デシル})カルバモイル]オキシ}アニリニウム
N,N,N-trimethyl-3-{[methyl({10-[methyl({[3-(trimethylazaniumyl)phenoxy]carbonyl})amino]decyl})carbamoyl]oxy}anilinium
Other name (3):
デメカリウム
Demecarium
3,3′-[1,10-Decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethylbenzenaminium]
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