2-butyl-1-[(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide

Systemtic Name: 2-butyl-1-[(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide Openeye Name: 2-butyl-1-[(2-chlorophenyl)methyl]-N-(2-pyridylmethyl)benzimidazol-1-ium-1-carboxamide CAS Name: 2-butyl-1-[(2-chlorophenyl)methyl]-N-(2-pyridinylmethyl)-1-benzimidazol-1-iumcarboxamide IUPAC Name: 2-butyl-1-[(2-chlorophenyl)methyl]-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide Traditional Name: 2-butyl-1-(2-chlorobenzyl)-N-(2-pyridylmethyl)benzimidazol-1-ium-1-carboxamide Formula: C25H26ClN4O+ MolecularWeight: 433.95314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=CC=C3Cl)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=CC=C3Cl)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C25H25ClN4O/c1-2-3-15-24-29-22-13-6-7-14-23(22)30(24,18-19-10-4-5-12-21(19)26)25(31)28-17-20-11-8-9-16-27-20/h4-14,16H,2-3,15,17-18H2,1H3/p+1