(2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butanoate

Systemtic Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butanoate Openeye Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-4-(2,4,6-trimethylanilino)butanoate CAS Name: (2R)-2-(4-methyl-1-piperazin-1-iumyl)-4-oxo-4-(2,4,6-trimethylanilino)butanoate IUPAC Name: (2R)-2-(4-methylpiperazin-1-ium-1-yl)-4-oxo-4-(2,4,6-trimethylanilino)butanoate Traditional Name: (2R)-4-keto-4-mesidino-2-(4-methylpiperazin-1-ium-1-yl)butyrate Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-12-9-13(2)17(14(3)10-12)19-16(22)11-15(18(23)24)21-7-5-20(4)6-8-21/h9-10,15H,5-8,11H2,1-4H3,(H,19,22)(H,23,24)/t15-/m1/s1