methyl 2-(1-ethyl-2-oxidanylidene-3H-benzimidazol-1-ium-1-yl)benzoate hydrochloride

Systemtic Name: methyl 2-(1-ethyl-2-oxidanylidene-3H-benzimidazol-1-ium-1-yl)benzoate hydrochloride Openeye Name: methyl 2-(1-ethyl-2-oxo-3H-benzimidazol-1-ium-1-yl)benzoate hydrochloride CAS Name: 2-(1-ethyl-2-oxo-3H-benzimidazol-1-ium-1-yl)benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-(1-ethyl-2-oxo-3H-benzimidazol-1-ium-1-yl)benzoate hydrochloride Traditional Name: 2-(1-ethyl-2-keto-3H-benzimidazol-1-ium-1-yl)benzoic acid methyl ester hydrochloride Formula: C17H18ClN2O3+ MolecularWeight: 333.78942

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=CC=CC=C2NC1=O)C3=CC=CC=C3C(=O)OC.Cl

Isomeric SMILES

CC[N+]1(C2=CC=CC=C2NC1=O)C3=CC=CC=C3C(=O)OC.Cl

InChI

InChI=1S/C17H16N2O3.ClH/c1-3-19(14-10-6-4-8-12(14)16(20)22-2)15-11-7-5-9-13(15)18-17(19)21;/h4-11H,3H2,1-2H3;1H/p+1