1-cyclopenta-1,4-dien-1-yl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butan-2-one

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butan-2-one Openeye Name: 1-cyclopenta-1,4-dien-1-yl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butan-2-one CAS Name: 1-(1-cyclopenta-1,4-dienyl)-4-[4-(1-phenyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]-2-butanone IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butan-2-one Traditional Name: 1-cyclopenta-1,4-dien-1-yl-4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butan-2-one Formula: C25H24N2O+2 MolecularWeight: 368.47086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C1)CC(=O)CC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C=CC(=C1)CC(=O)CC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O/c28-25(20-21-6-4-5-7-21)14-17-26-15-10-22(11-16-26)23-12-18-27(19-13-23)24-8-2-1-3-9-24/h1-4,6-13,15-16,18-19H,5,14,17,20H2/q+2