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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-(1-naphthyl)-2-oxo-ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-(1-naphthalenyl)-2-oxoethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-(1-naphthyl)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C25H25N2O3+ MolecularWeight: 401.4776

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C25H25N2O3/c1-4-26-17(3)27(23-15-19(13-14-22(23)26)25(29)30-5-2)16-24(28)21-12-8-10-18-9-6-7-11-20(18)21/h6-15H,4-5,16H2,1-3H3/q+1