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

Systemtic Name: ethyl 4-[(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-keto-1-phenyl-2-(p-toluidino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-3-28-22(27)25-15-13-24(14-16-25)20(18-7-5-4-6-8-18)21(26)23-19-11-9-17(2)10-12-19/h4-12,20H,3,13-16H2,1-2H3,(H,23,26)/p+1/t20-/m1/s1