(2R)-4-[(2-methyl-4-oxidanyl-phenyl)amino]-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2-methyl-4-oxidanyl-phenyl)amino]-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-hydroxy-2-methyl-anilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-butanoate CAS Name: (2R)-4-(4-hydroxy-2-methylanilino)-2-(4-methyl-1-piperazin-1-iumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(4-hydroxy-2-methylanilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxobutanoate Traditional Name: (2R)-4-(4-hydroxy-2-methyl-anilino)-4-keto-2-(4-methylpiperazin-1-ium-1-yl)butyrate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)NC(=O)CC(C(=O)[O-])[NH+]2CCN(CC2)C

Isomeric SMILES

CC1=C(C=CC(=C1)O)NC(=O)C[C@H](C(=O)[O-])[NH+]2CCN(CC2)C

InChI

InChI=1S/C16H23N3O4/c1-11-9-12(20)3-4-13(11)17-15(21)10-14(16(22)23)19-7-5-18(2)6-8-19/h3-4,9,14,20H,5-8,10H2,1-2H3,(H,17,21)(H,22,23)/t14-/m1/s1