(E)-3-[(3-methylpyridin-2-yl)amino]-1-pyridin-1-ium-3-yl-but-2-en-1-one

Systemtic Name: (E)-3-[(3-methylpyridin-2-yl)amino]-1-pyridin-1-ium-3-yl-but-2-en-1-one Openeye Name: (E)-3-[(3-methyl-2-pyridyl)amino]-1-pyridin-1-ium-3-yl-but-2-en-1-one CAS Name: (E)-3-[(3-methyl-2-pyridinyl)amino]-1-(3-pyridin-1-iumyl)-2-buten-1-one IUPAC Name: (E)-3-[(3-methylpyridin-2-yl)amino]-1-pyridin-1-ium-3-ylbut-2-en-1-one Traditional Name: (E)-3-[(3-methyl-2-pyridyl)amino]-1-pyridin-1-ium-3-yl-but-2-en-1-one Formula: C15H16N3O+ MolecularWeight: 254.30704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=CC(=O)C2=C[NH+]=CC=C2)C

Isomeric SMILES

CC1=C(N=CC=C1)N/C(=C/C(=O)C2=C[NH+]=CC=C2)/C

InChI

InChI=1S/C15H15N3O/c1-11-5-3-8-17-15(11)18-12(2)9-14(19)13-6-4-7-16-10-13/h3-10H,1-2H3,(H,17,18)/p+1/b12-9+