1-[(2-chlorophenyl)methyl]-1-methyl-2-propyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-1-methyl-2-propyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-1-methyl-2-propyl-N-(2-pyridylmethyl)benzimidazol-1-ium-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-1-methyl-2-propyl-N-(2-pyridinylmethyl)-4-benzimidazol-1-iumcarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-1-methyl-2-propyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-1-methyl-2-propyl-N-(2-pyridylmethyl)benzimidazol-1-ium-4-carboxamide Formula: C25H26ClN4O+ MolecularWeight: 433.95314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=CC=C3Cl)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=CC=C3Cl)C(=O)NCC4=CC=CC=N4

InChI

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