(E)-3-(4-methoxy-3-pentoxy-phenyl)-N-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methoxy-3-pentoxy-phenyl)-N-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]prop-2-enamide Openeye Name: (E)-3-(4-methoxy-3-pentoxy-phenyl)-N-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]prop-2-enamide CAS Name: (E)-3-(4-methoxy-3-pentoxyphenyl)-N-[2-(1-oxido-2-pyridin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxy-3-pentoxyphenyl)-N-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]prop-2-enamide Traditional Name: (E)-3-(3-amoxy-4-methoxy-phenyl)-N-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]acrylamide Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=CC=[N+]2[O-])OC

Isomeric SMILES

CCCCCOC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=CC=[N+]2[O-])OC

InChI

InChI=1S/C22H28N2O4/c1-3-4-7-16-28-21-17-18(9-11-20(21)27-2)10-12-22(25)23-14-13-19-8-5-6-15-24(19)26/h5-6,8-12,15,17H,3-4,7,13-14,16H2,1-2H3,(H,23,25)/b12-10+