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

Systemtic Name: 1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-vanillylpiperidin-1-ium-4-carboxamide Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-19-13-8-10(2-3-12(13)17)9-16-6-4-11(5-7-16)14(15)18/h2-3,8,11,17H,4-7,9H2,1H3,(H2,15,18)/p+1