(2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoate

Systemtic Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-4-[(4-propan-2-ylphenyl)amino]butanoate Openeye Name: (2R)-4-(4-isopropylanilino)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-butanoate CAS Name: (2R)-2-(4-methyl-1-piperazin-1-iumyl)-4-oxo-4-(4-propan-2-ylanilino)butanoate IUPAC Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-4-(4-propan-2-ylanilino)butanoate Traditional Name: (2R)-4-cumidino-4-keto-2-(4-methylpiperazin-1-ium-1-yl)butyrate Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-13(2)14-4-6-15(7-5-14)19-17(22)12-16(18(23)24)21-10-8-20(3)9-11-21/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)(H,23,24)/t16-/m1/s1