ethyl 4-[(2R)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-keto-2-mesidino-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C19H29N3O3/c1-6-25-19(24)22-9-7-21(8-10-22)16(5)18(23)20-17-14(3)11-13(2)12-15(17)4/h11-12,16H,6-10H2,1-5H3,(H,20,23)/p+1/t16-/m1/s1