2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-o-anisyl-piperazin-1-ium-2-yl]acetate Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-20-12-5-3-2-4-10(12)9-16-7-6-15-14(19)11(16)8-13(17)18/h2-5,11H,6-9H2,1H3,(H,15,19)(H,17,18)/t11-/m1/s1