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

Systemtic Name: 2-[(4-cyano-3-methyl-2-pentyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-cyano-3-methyl-2-pentyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-cyano-3-methyl-2-pentyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-cyano-3-methyl-2-pentyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-amyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]ethyl-dimethyl-ammonium Formula: C22H31N5+2 MolecularWeight: 365.51504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCC[NH+](C)C

Isomeric SMILES

CCCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCC[NH+](C)C

InChI

InChI=1S/C22H29N5/c1-5-6-7-10-17-16(2)18(15-23)22-25-19-11-8-9-12-20(19)27(22)21(17)24-13-14-26(3)4/h8-9,11-12H,5-7,10,13-14H2,1-4H3,(H,24,25)/p+2