ethyl 4-[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-keto-2-(m-anisidino)-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-4-24-17(22)20-10-8-19(9-11-20)13(2)16(21)18-14-6-5-7-15(12-14)23-3/h5-7,12-13H,4,8-11H2,1-3H3,(H,18,21)/p+1/t13-/m1/s1