ethyl 4-[(1R)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(1R)-2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-keto-2-(o-phenetidino)-1-phenyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C23H29N3O4/c1-3-29-20-13-9-8-12-19(20)24-22(27)21(18-10-6-5-7-11-18)25-14-16-26(17-15-25)23(28)30-4-2/h5-13,21H,3-4,14-17H2,1-2H3,(H,24,27)/p+1/t21-/m1/s1