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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-o-veratrylpiperidin-1-ium-4-carboxylate Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

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