13-[1-(13-pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecan-1-ol chloride

Systemtic Name: 13-[1-(13-pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecan-1-ol chloride Openeye Name: 13-[1-[13-(3-pyridyl)tridecyl]pyridin-1-ium-3-yl]tridecan-1-ol chloride CAS Name: 13-[1-[13-(3-pyridinyl)tridecyl]-3-pyridin-1-iumyl]-1-tridecanol chloride IUPAC Name: 13-[1-(13-pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecan-1-ol chloride Traditional Name: 13-[1-[13-(3-pyridyl)tridecyl]pyridin-1-ium-3-yl]tridecan-1-ol chloride Formula: C36H61ClN2O MolecularWeight: 573.33534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCCCCCCCCCCC[N+]2=CC=CC(=C2)CCCCCCCCCCCCCO.[Cl-]

Isomeric SMILES

C1=CC(=CN=C1)CCCCCCCCCCCCC[N+]2=CC=CC(=C2)CCCCCCCCCCCCCO.[Cl-]

InChI

InChI=1S/C36H61N2O.ClH/c39-32-22-18-14-10-6-2-4-8-12-16-20-26-36-28-24-31-38(34-36)30-21-17-13-9-5-1-3-7-11-15-19-25-35-27-23-29-37-33-35;/h23-24,27-29,31,33-34,39H,1-22,25-26,30,32H2;1H/q+1;/p-1