(E)-N-butyl-4-[4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]but-3-enamide

Systemtic Name: (E)-N-butyl-4-[4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]but-3-enamide Openeye Name: (E)-N-butyl-4-[4-(1-oxidopyridin-1-ium-4-yl)phenyl]but-3-enamide CAS Name: (E)-N-butyl-4-[4-(1-oxido-4-pyridin-1-iumyl)phenyl]-3-butenamide IUPAC Name: (E)-N-butyl-4-[4-(1-oxidopyridin-1-ium-4-yl)phenyl]but-3-enamide Traditional Name: (E)-N-butyl-4-[4-(1-oxidopyridin-1-ium-4-yl)phenyl]but-3-enamide Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC=CC1=CC=C(C=C1)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CCCCNC(=O)C/C=C/C1=CC=C(C=C1)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C19H22N2O2/c1-2-3-13-20-19(22)6-4-5-16-7-9-17(10-8-16)18-11-14-21(23)15-12-18/h4-5,7-12,14-15H,2-3,6,13H2,1H3,(H,20,22)/b5-4+