ethyl 4-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)NC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C18H25N3O4/c1-4-25-18(24)21-11-9-20(10-12-21)13(2)17(23)19-16-7-5-15(6-8-16)14(3)22/h5-8,13H,4,9-12H2,1-3H3,(H,19,23)/p+1/t13-/m1/s1