1-[(2-chlorophenyl)methyl]-1-propyl-benzimidazol-1-ium-5-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-1-propyl-benzimidazol-1-ium-5-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-1-propyl-benzimidazol-1-ium-5-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-1-propyl-5-benzimidazol-1-iumcarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-1-propylbenzimidazol-1-ium-5-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-1-propyl-benzimidazol-1-ium-5-carboxylic acid Formula: C18H18ClN2O2+ MolecularWeight: 329.80072

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=NC2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl

Isomeric SMILES

CCC[N+]1(C=NC2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C18H17ClN2O2/c1-2-9-21(11-14-5-3-4-6-15(14)19)12-20-16-10-13(18(22)23)7-8-17(16)21/h3-8,10,12H,2,9,11H2,1H3/p+1