2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[(2R)-1-[(E)-3-(2-methoxyphenyl)allyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-[(E)-3-(2-methoxyphenyl)allyl]piperazin-1-ium-2-yl]acetate Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-22-14-7-3-2-5-12(14)6-4-9-18-10-8-17-16(21)13(18)11-15(19)20/h2-7,13H,8-11H2,1H3,(H,17,21)(H,19,20)/b6-4+/t13-/m1/s1