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

Systemtic Name: 3-[(4-cyano-3-methyl-2-octyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyano-3-methyl-2-octyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-cyano-3-methyl-2-octyl-1-pyrido[1,2-a]benzimidazolyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-cyano-3-methyl-2-octylpyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-3-methyl-2-octyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethyl-ammonium Formula: C26H38N5+ MolecularWeight: 420.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+](C)C

Isomeric SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCC[NH+](C)C

InChI

InChI=1S/C26H37N5/c1-5-6-7-8-9-10-14-21-20(2)22(19-27)26-29-23-15-11-12-16-24(23)31(26)25(21)28-17-13-18-30(3)4/h11-12,15-16,28H,5-10,13-14,17-18H2,1-4H3/p+1