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

Systemtic Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]acetate Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCNC(=O)C2CC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCNC(=O)[C@H]2CC(=O)[O-]

InChI

InChI=1S/C15H20N2O5/c1-21-12-5-3-4-10(14(12)22-2)9-17-7-6-16-15(20)11(17)8-13(18)19/h3-5,11H,6-9H2,1-2H3,(H,16,20)(H,18,19)/t11-/m1/s1