2-(dimethylamino)-5-methyl-1-(4-nitrophenyl)pyrido[3,2-b]indol-1-ium-3-carbonitrile chloride

Systemtic Name: 2-(dimethylamino)-5-methyl-1-(4-nitrophenyl)pyrido[3,2-b]indol-1-ium-3-carbonitrile chloride Openeye Name: 2-(dimethylamino)-5-methyl-1-(4-nitrophenyl)pyrido[3,2-b]indol-1-ium-3-carbonitrile chloride CAS Name: 2-(dimethylamino)-5-methyl-1-(4-nitrophenyl)-3-pyrido[3,2-b]indol-1-iumcarbonitrile chloride IUPAC Name: 2-(dimethylamino)-5-methyl-1-(4-nitrophenyl)pyrido[3,2-b]indol-1-ium-3-carbonitrile chloride Traditional Name: 2-(dimethylamino)-5-methyl-1-(4-nitrophenyl)pyrid[3,2-b]indol-1-ium-3-carbonitrile chloride Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C=C(C(=[N+]3C4=CC=C(C=C4)[N+](=O)[O-])N(C)C)C#N.[Cl-]

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C=C(C(=[N+]3C4=CC=C(C=C4)[N+](=O)[O-])N(C)C)C#N.[Cl-]

InChI

InChI=1S/C21H18N5O2.ClH/c1-23(2)21-14(13-22)12-19-20(17-6-4-5-7-18(17)24(19)3)25(21)15-8-10-16(11-9-15)26(27)28;/h4-12H,1-3H3;1H/q+1;/p-1