3-[(2-butyl-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-diethyl-azanium

Systemtic Name: 3-[(2-butyl-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-diethyl-azanium Openeye Name: 3-[(2-butyl-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-diethyl-ammonium CAS Name: 3-[(2-butyl-4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)amino]propyl-diethylammonium IUPAC Name: 3-[(2-butyl-4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)amino]propyl-diethylazanium Traditional Name: 3-[(2-butyl-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-diethyl-ammonium Formula: C24H34N5+ MolecularWeight: 392.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+](CC)CC

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+](CC)CC

InChI

InChI=1S/C24H33N5/c1-5-8-12-19-18(4)20(17-25)24-27-21-13-9-10-14-22(21)29(24)23(19)26-15-11-16-28(6-2)7-3/h9-10,13-14,26H,5-8,11-12,15-16H2,1-4H3/p+1