1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-vanillylpiperidin-1-ium-4-carboxylate Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-19-13-8-10(2-3-12(13)16)9-15-6-4-11(5-7-15)14(17)18/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)