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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-(2-oxidanylidene-2-phenylazanyl-ethyl)benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-(2-anilino-2-oxo-ethyl)-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-(2-anilino-2-oxoethyl)-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-anilino-2-oxoethyl)-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-(2-anilino-2-keto-ethyl)-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O3/c1-4-23-15(3)24(14-20(25)22-17-9-7-6-8-10-17)19-13-16(11-12-18(19)23)21(26)27-5-2/h6-13H,4-5,14H2,1-3H3/p+1