3-(12-iodanyldodecyl)-1-(12-pyridin-3-yldodecyl)pyridin-1-ium iodide

Systemtic Name: 3-(12-iodanyldodecyl)-1-(12-pyridin-3-yldodecyl)pyridin-1-ium iodide Openeye Name: 3-(12-iodododecyl)-1-[12-(3-pyridyl)dodecyl]pyridin-1-ium iodide CAS Name: 3-(12-iodododecyl)-1-[12-(3-pyridinyl)dodecyl]pyridin-1-ium iodide IUPAC Name: 3-(12-iodododecyl)-1-(12-pyridin-3-yldodecyl)pyridin-1-ium iodide Traditional Name: 3-(12-iodododecyl)-1-[12-(3-pyridyl)dodecyl]pyridin-1-ium iodide Formula: C34H56I2N2 MolecularWeight: 746.63078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H56IN2.HI/c35-27-19-15-11-7-3-1-6-10-14-18-24-34-26-22-30-37(32-34)29-20-16-12-8-4-2-5-9-13-17-23-33-25-21-28-36-31-33;/h21-22,25-26,28,30-32H,1-20,23-24,27,29H2;1H/q+1;/p-1