N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-homoveratryl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C[N+](=CC=C2)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C[N+](=CC=C2)[O-])OC

InChI

InChI=1S/C16H18N2O4/c1-21-14-6-5-12(10-15(14)22-2)7-8-17-16(19)13-4-3-9-18(20)11-13/h3-6,9-11H,7-8H2,1-2H3,(H,17,19)