ethyl 1-ethyl-3-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-(2-methoxy-2-oxo-ethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-(2-methoxy-2-oxoethyl)-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-(2-methoxy-2-oxoethyl)-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-(2-keto-2-methoxy-ethyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C16H21N2O4+ MolecularWeight: 305.34894

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)OC)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)OC)C

InChI

InChI=1S/C16H21N2O4/c1-5-17-11(3)18(10-15(19)21-4)14-9-12(7-8-13(14)17)16(20)22-6-2/h7-9H,5-6,10H2,1-4H3/q+1