(E)-1-(4-methoxyphenyl)-3-(pyridin-1-ium-4-ylamino)but-2-en-1-one

Systemtic Name: (E)-1-(4-methoxyphenyl)-3-(pyridin-1-ium-4-ylamino)but-2-en-1-one Openeye Name: (E)-1-(4-methoxyphenyl)-3-(pyridin-1-ium-4-ylamino)but-2-en-1-one CAS Name: (E)-1-(4-methoxyphenyl)-3-(4-pyridin-1-iumylamino)-2-buten-1-one IUPAC Name: (E)-1-(4-methoxyphenyl)-3-(pyridin-1-ium-4-ylamino)but-2-en-1-one Traditional Name: (E)-1-(4-methoxyphenyl)-3-(pyridin-1-ium-4-ylamino)but-2-en-1-one Formula: C16H17N2O2+ MolecularWeight: 269.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC=C(C=C1)OC)NC2=CC=[NH+]C=C2

Isomeric SMILES

C/C(=C\C(=O)C1=CC=C(C=C1)OC)/NC2=CC=[NH+]C=C2

InChI

InChI=1S/C16H16N2O2/c1-12(18-14-7-9-17-10-8-14)11-16(19)13-3-5-15(20-2)6-4-13/h3-11H,1-2H3,(H,17,18)/p+1/b12-11+