N-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-1-methyl-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1-methylpyridin-1-ium-3-carboxamide Traditional Name: N-homovanillyl-1-methyl-pyridin-1-ium-3-carboxamide Formula: C16H19N2O3+ MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C16H18N2O3/c1-18-9-3-4-13(11-18)16(20)17-8-7-12-5-6-14(19)15(10-12)21-2/h3-6,9-11H,7-8H2,1-2H3,(H-,17,19,20)/p+1