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

Systemtic Name: (E)-1-pyridin-1-ium-3-yl-3-(pyridin-4-ylamino)but-2-en-1-one Openeye Name: (E)-1-pyridin-1-ium-3-yl-3-(4-pyridylamino)but-2-en-1-one CAS Name: (E)-1-(3-pyridin-1-iumyl)-3-(pyridin-4-ylamino)-2-buten-1-one IUPAC Name: (E)-1-pyridin-1-ium-3-yl-3-(pyridin-4-ylamino)but-2-en-1-one Traditional Name: (E)-1-pyridin-1-ium-3-yl-3-(4-pyridylamino)but-2-en-1-one Formula: C14H14N3O+ MolecularWeight: 240.28046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O/c1-11(17-13-4-7-15-8-5-13)9-14(18)12-3-2-6-16-10-12/h2-10H,1H3,(H,15,17)/p+1/b11-9+