2-[(2R)-2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[(2R)-2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[(2R)-2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[(2R)-2-[(3,4-dimethoxyanilino)-oxomethyl]-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[(2R)-2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[(2R)-2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-ium-1-yl]acetate Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCCC[NH+]2CC(=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-22-13-7-6-11(9-14(13)23-2)17-16(21)12-5-3-4-8-18(12)10-15(19)20/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,21)(H,19,20)/t12-/m1/s1