3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide

Systemtic Name: 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide Openeye Name: 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-N-(m-tolyl)propanamide CAS Name: 3-[1-[(1-methyl-2-benzimidazolyl)methyl]-4-piperidin-1-iumyl]-N-(3-methylphenyl)propanamide IUPAC Name: 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide Traditional Name: 3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-N-(m-tolyl)propionamide Formula: C24H31N4O+ MolecularWeight: 391.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C24H30N4O/c1-18-6-5-7-20(16-18)25-24(29)11-10-19-12-14-28(15-13-19)17-23-26-21-8-3-4-9-22(21)27(23)2/h3-9,16,19H,10-15,17H2,1-2H3,(H,25,29)/p+1