3-[[4-cyano-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-cyano-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyano-2-isopentyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-2-isoamyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-ammonium Formula: C23H33N5+2 MolecularWeight: 379.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)NCCC[NH+](C)C)C#N

Isomeric SMILES

CC1=C(C2=[N+](C3=CC=CC=C3N2)C(=C1CCC(C)C)NCCC[NH+](C)C)C#N

InChI

InChI=1S/C23H31N5/c1-16(2)11-12-18-17(3)19(15-24)23-26-20-9-6-7-10-21(20)28(23)22(18)25-13-8-14-27(4)5/h6-7,9-10,16H,8,11-14H2,1-5H3,(H,25,26)/p+2