1-[(3-methylphenyl)methyl]-2-propyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide

Systemtic Name: 1-[(3-methylphenyl)methyl]-2-propyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide Openeye Name: 1-(m-tolylmethyl)-2-propyl-N-(2-pyridylmethyl)benzimidazol-1-ium-1-carboxamide CAS Name: 1-[(3-methylphenyl)methyl]-2-propyl-N-(2-pyridinylmethyl)-1-benzimidazol-1-iumcarboxamide IUPAC Name: 1-[(3-methylphenyl)methyl]-2-propyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide Traditional Name: 1-(3-methylbenzyl)-2-propyl-N-(2-pyridylmethyl)benzimidazol-1-ium-1-carboxamide Formula: C25H27N4O+ MolecularWeight: 399.50808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=CC(=C3)C)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=CC(=C3)C)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C25H26N4O/c1-3-9-24-28-22-13-4-5-14-23(22)29(24,18-20-11-8-10-19(2)16-20)25(30)27-17-21-12-6-7-15-26-21/h4-8,10-16H,3,9,17-18H2,1-2H3/p+1