1-(3-chloranyl-4-methyl-phenyl)-N-(3-ethoxypropyl)-3H-benzimidazol-1-ium-5-carboxamide

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-N-(3-ethoxypropyl)-3H-benzimidazol-1-ium-5-carboxamide Openeye Name: 1-(3-chloro-4-methyl-phenyl)-N-(3-ethoxypropyl)-3H-benzimidazol-1-ium-5-carboxamide CAS Name: 1-(3-chloro-4-methylphenyl)-N-(3-ethoxypropyl)-3H-benzimidazol-1-ium-5-carboxamide IUPAC Name: 1-(3-chloro-4-methylphenyl)-N-(3-ethoxypropyl)-3H-benzimidazol-1-ium-5-carboxamide Traditional Name: 1-(3-chloro-4-methyl-phenyl)-N-(3-ethoxypropyl)-3H-benzimidazol-1-ium-5-carboxamide Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC2=C(C=C1)[N+](=CN2)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCOCCCNC(=O)C1=CC2=C(C=C1)[N+](=CN2)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C20H22ClN3O2/c1-3-26-10-4-9-22-20(25)15-6-8-19-18(11-15)23-13-24(19)16-7-5-14(2)17(21)12-16/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,25)/p+1