ethyl 2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-2-methyl-benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-2-methyl-benzimidazol-3-ium-1-yl]ethanoate Openeye Name: ethyl 2-[3-(2-ethoxy-2-oxo-ethyl)-2-methyl-benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[3-(2-ethoxy-2-oxoethyl)-2-methyl-1-benzimidazol-3-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-methylbenzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[3-(2-ethoxy-2-keto-ethyl)-2-methyl-benzimidazol-3-ium-1-yl]acetic acid ethyl ester Formula: C16H21N2O4+ MolecularWeight: 305.34894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=[N+](C2=CC=CC=C21)CC(=O)OCC)C

Isomeric SMILES

CCOC(=O)CN1C(=[N+](C2=CC=CC=C21)CC(=O)OCC)C

InChI

InChI=1S/C16H21N2O4/c1-4-21-15(19)10-17-12(3)18(11-16(20)22-5-2)14-9-7-6-8-13(14)17/h6-9H,4-5,10-11H2,1-3H3/q+1