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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-2-propyl-N-(pyridin-3-ylmethyl)benzimidazol-1-ium-1-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-2-propyl-N-(3-pyridylmethyl)benzimidazol-1-ium-1-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-2-propyl-N-(3-pyridinylmethyl)-1-benzimidazol-1-iumcarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-2-propyl-N-(pyridin-3-ylmethyl)benzimidazol-1-ium-1-carboxamide Traditional Name: 1-(2-chlorobenzyl)-2-propyl-N-(3-pyridylmethyl)benzimidazol-1-ium-1-carboxamide Formula: C24H24ClN4O+ MolecularWeight: 419.92656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=CC=C3Cl)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=CC=C3Cl)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C24H23ClN4O/c1-2-8-23-28-21-12-5-6-13-22(21)29(23,17-19-10-3-4-11-20(19)25)24(30)27-16-18-9-7-14-26-15-18/h3-7,9-15H,2,8,16-17H2,1H3/p+1