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

Systemtic Name: ethyl 4-[(2R)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O3+ MolecularWeight: 334.43322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-5-24-18(23)21-10-8-20(9-11-21)15(4)17(22)19-16-7-6-13(2)12-14(16)3/h6-7,12,15H,5,8-11H2,1-4H3,(H,19,22)/p+1/t15-/m1/s1