1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-veratrylpiperidin-1-ium-4-carboxylate Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-19-13-4-3-11(9-14(13)20-2)10-16-7-5-12(6-8-16)15(17)18/h3-4,9,12H,5-8,10H2,1-2H3,(H,17,18)