ethyl 4-[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-4-29-23(28)26-14-12-25(13-15-26)21(19-8-6-5-7-9-19)22(27)24-20-16-17(2)10-11-18(20)3/h5-11,16,21H,4,12-15H2,1-3H3,(H,24,27)/p+1/t21-/m1/s1