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

Systemtic Name: ethyl 4-[(2R)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-(2-isopropylanilino)-2-keto-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=CC=CC=C2C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3/c1-5-25-19(24)22-12-10-21(11-13-22)15(4)18(23)20-17-9-7-6-8-16(17)14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,23)/p+1/t15-/m1/s1