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

Systemtic Name: ethyl 2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-2-methyl-benzimidazol-3-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-(2-ethoxy-2-oxo-ethyl)-2-methyl-benzimidazol-3-ium-1-yl]acetate bromide CAS Name: 2-[3-(2-ethoxy-2-oxoethyl)-2-methyl-1-benzimidazol-3-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-methylbenzimidazol-3-ium-1-yl]acetate bromide Traditional Name: 2-[3-(2-ethoxy-2-keto-ethyl)-2-methyl-benzimidazol-3-ium-1-yl]acetic acid ethyl ester bromide Formula: C16H21BrN2O4 MolecularWeight: 385.25294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N2O4.BrH/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;1H/q+1;/p-1