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

Systemtic Name: (2R)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(4-methoxyanilino)-4-oxo-2-piperazin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(4-methoxyanilino)-4-oxo-2-(1-piperazin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-methoxyanilino)-4-oxo-2-piperazin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-keto-4-(p-anisidino)-2-piperazin-1-ium-1-yl-butyrate Formula: C15H21N3O4 MolecularWeight: 307.34494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH+]2CCNCC2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH+]2CCNCC2

InChI

InChI=1S/C15H21N3O4/c1-22-12-4-2-11(3-5-12)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