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

Systemtic Name: 3-[[4-cyano-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazol-1-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyano-2-isopentyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-3-methyl-2-(3-methylbutyl)-1-pyrido[1,2-a]benzimidazolyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazol-1-yl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-2-isoamyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)amino]propyl-dimethyl-ammonium Formula: C23H32N5+ MolecularWeight: 378.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(C)C)NCCC[NH+](C)C)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=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/h6-7,9-10,16,25H,8,11-14H2,1-5H3/p+1