8-[4-[1-(4-cyclopenta-1,4-dien-1-ylbutyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]octan-1-ol

Systemtic Name: 8-[4-[1-(4-cyclopenta-1,4-dien-1-ylbutyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]octan-1-ol Openeye Name: 8-[4-[1-(4-cyclopenta-1,4-dien-1-ylbutyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]octan-1-ol CAS Name: 8-[4-[1-[4-(1-cyclopenta-1,4-dienyl)butyl]-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]-1-octanol IUPAC Name: 8-[4-[1-(4-cyclopenta-1,4-dien-1-ylbutyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]octan-1-ol Traditional Name: 8-[4-[1-(4-cyclopenta-1,4-dien-1-ylbutyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]octan-1-ol Formula: C27H38N2O+2 MolecularWeight: 406.60342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C1)CCCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CCCCCCCCO

Isomeric SMILES

C1C=CC(=C1)CCCC[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CCCCCCCCO

InChI

InChI=1S/C27H38N2O/c30-24-10-4-2-1-3-8-18-28-20-14-26(15-21-28)27-16-22-29(23-17-27)19-9-7-13-25-11-5-6-12-25/h5,11-12,14-17,20-23,30H,1-4,6-10,13,18-19,24H2/q+2