12-[1-[12-(1-oxidanidylpyridin-1-ium-3-yl)dodecyl]pyridin-1-ium-3-yl]dodecan-1-ol iodide

Systemtic Name: 12-[1-[12-(1-oxidanidylpyridin-1-ium-3-yl)dodecyl]pyridin-1-ium-3-yl]dodecan-1-ol iodide Openeye Name: 12-[1-[12-(1-oxidopyridin-1-ium-3-yl)dodecyl]pyridin-1-ium-3-yl]dodecan-1-ol iodide CAS Name: 12-[1-[12-(1-oxido-3-pyridin-1-iumyl)dodecyl]-3-pyridin-1-iumyl]-1-dodecanol iodide IUPAC Name: 12-[1-[12-(1-oxidopyridin-1-ium-3-yl)dodecyl]pyridin-1-ium-3-yl]dodecan-1-ol iodide Traditional Name: 12-[1-[12-(1-oxidopyridin-1-ium-3-yl)dodecyl]pyridin-1-ium-3-yl]dodecan-1-ol iodide Formula: C34H57IN2O2 MolecularWeight: 652.73305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCCCCCCCCCCC2=C[N+](=CC=C2)[O-])CCCCCCCCCCCCO.[I-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCCCCCCCCCCC2=C[N+](=CC=C2)[O-])CCCCCCCCCCCCO.[I-]

InChI

InChI=1S/C34H57N2O2.HI/c37-30-20-16-12-8-4-2-6-9-13-17-23-33-25-21-28-35(31-33)27-19-15-11-7-3-1-5-10-14-18-24-34-26-22-29-36(38)32-34;/h21-22,25-26,28-29,31-32,37H,1-20,23-24,27,30H2;1H/q+1;/p-1