ethyl 4-[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27N3O4/c1-3-29-22(27)25-14-12-24(13-15-25)20(17-8-5-4-6-9-17)21(26)23-18-10-7-11-19(16-18)28-2/h4-11,16,20H,3,12-15H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1