(2R)-4-[(4-methylphenyl)amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[(4-methylphenyl)amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(4-methylanilino)-4-oxo-2-piperazin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(4-methylanilino)-4-oxo-2-(1-piperazin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-methylanilino)-4-oxo-2-piperazin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-keto-2-piperazin-1-ium-1-yl-4-(p-toluidino)butyrate Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH+]2CCNCC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH+]2CCNCC2

InChI

InChI=1S/C15H21N3O3/c1-11-2-4-12(5-3-11)17-14(19)10-13(15(20)21)18-8-6-16-7-9-18/h2-5,13,16H,6-10H2,1H3,(H,17,19)(H,20,21)/t13-/m1/s1