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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxidanidyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxido-pyridin-1-ium-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxido-2-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxidopyridin-1-ium-2-carboxamide Traditional Name: N-homoveratryl-1-oxido-pyridin-1-ium-2-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=CC=CC=[N+]2[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=[N+]2[O-])OC

InChI

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