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

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]ethanoate Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]acetate Traditional Name: 2-(1-veratrylpiperidin-1-ium-4-yl)acetate Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)CC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)CC(=O)[O-])OC

InChI

InChI=1S/C16H23NO4/c1-20-14-4-3-13(9-15(14)21-2)11-17-7-5-12(6-8-17)10-16(18)19/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,18,19)