2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetate Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)[O-]

InChI

InChI=1S/C15H20N2O4/c1-2-21-12-5-3-11(4-6-12)10-17-8-7-16-15(20)13(17)9-14(18)19/h3-6,13H,2,7-10H2,1H3,(H,16,20)(H,18,19)/t13-/m1/s1