ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(3-phenylpropylamino)ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-oxo-2-(3-phenylpropylamino)ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(3-phenylpropylamino)ethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-(3-phenylpropylamino)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NCCCC3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NCCCC3=CC=CC=C3)C

InChI

InChI=1S/C24H29N3O3/c1-4-26-18(3)27(22-16-20(13-14-21(22)26)24(29)30-5-2)17-23(28)25-15-9-12-19-10-7-6-8-11-19/h6-8,10-11,13-14,16H,4-5,9,12,15,17H2,1-3H3/p+1