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

Systemtic Name: (2R)-4-[(2,4-dimethoxyphenyl)amino]-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(2,4-dimethoxyanilino)-4-oxo-2-piperazin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(2,4-dimethoxyanilino)-4-oxo-2-(1-piperazin-1-iumyl)butanoate IUPAC Name: (2R)-4-(2,4-dimethoxyanilino)-4-oxo-2-piperazin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(2,4-dimethoxyanilino)-4-keto-2-piperazin-1-ium-1-yl-butyrate Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c1-23-11-3-4-12(14(9-11)24-2)18-15(20)10-13(16(21)22)19-7-5-17-6-8-19/h3-4,9,13,17H,5-8,10H2,1-2H3,(H,18,20)(H,21,22)/t13-/m1/s1