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

Systemtic Name: ethyl 4-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H23N4O3+ MolecularWeight: 331.38952

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-3-24-17(23)21-10-8-20(9-11-21)13(2)16(22)19-15-6-4-14(12-18)5-7-15/h4-7,13H,3,8-11H2,1-2H3,(H,19,22)/p+1/t13-/m1/s1