3-(12-iodanyldodecyl)-1-(14-pyridin-3-yltetradecyl)pyridin-1-ium iodide

Systemtic Name: 3-(12-iodanyldodecyl)-1-(14-pyridin-3-yltetradecyl)pyridin-1-ium iodide Openeye Name: 3-(12-iodododecyl)-1-[14-(3-pyridyl)tetradecyl]pyridin-1-ium iodide CAS Name: 3-(12-iodododecyl)-1-[14-(3-pyridinyl)tetradecyl]pyridin-1-ium iodide IUPAC Name: 3-(12-iodododecyl)-1-(14-pyridin-3-yltetradecyl)pyridin-1-ium iodide Traditional Name: 3-(12-iodododecyl)-1-[14-(3-pyridyl)tetradecyl]pyridin-1-ium iodide Formula: C36H60I2N2 MolecularWeight: 774.68394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCCCCCCCCCCCC[N+]2=CC=CC(=C2)CCCCCCCCCCCCI.[I-]

Isomeric SMILES

C1=CC(=CN=C1)CCCCCCCCCCCCCC[N+]2=CC=CC(=C2)CCCCCCCCCCCCI.[I-]

InChI

InChI=1S/C36H60IN2.HI/c37-29-21-17-13-9-5-4-8-12-16-20-26-36-28-24-32-39(34-36)31-22-18-14-10-6-2-1-3-7-11-15-19-25-35-27-23-30-38-33-35;/h23-24,27-28,30,32-34H,1-22,25-26,29,31H2;1H/q+1;/p-1