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

Systemtic Name: 2-[(2-butyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-butyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(2-butyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-butyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-butyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-dimethyl-ammonium Formula: C21H29N5+2 MolecularWeight: 351.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCC[NH+](C)C

Isomeric SMILES

CCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCC[NH+](C)C

InChI

InChI=1S/C21H27N5/c1-5-6-9-16-15(2)17(14-22)21-24-18-10-7-8-11-19(18)26(21)20(16)23-12-13-25(3)4/h7-8,10-11H,5-6,9,12-13H2,1-4H3,(H,23,24)/p+2