1-[(2-chlorophenyl)methyl]-6-methyl-2-propyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-6-methyl-2-propyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-6-methyl-2-propyl-N-(2-pyridylmethyl)benzimidazol-1-ium-1-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-6-methyl-2-propyl-N-(2-pyridinylmethyl)-1-benzimidazol-1-iumcarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-6-methyl-2-propyl-N-(pyridin-2-ylmethyl)benzimidazol-1-ium-1-carboxamide Traditional Name: 1-(2-chlorobenzyl)-6-methyl-2-propyl-N-(2-pyridylmethyl)benzimidazol-1-ium-1-carboxamide Formula: C25H26ClN4O+ MolecularWeight: 433.95314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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