10-[1-[11-(1-oxidanidylpyridin-1-ium-3-yl)undecyl]pyridin-1-ium-3-yl]decan-1-ol iodide

Systemtic Name: 10-[1-[11-(1-oxidanidylpyridin-1-ium-3-yl)undecyl]pyridin-1-ium-3-yl]decan-1-ol iodide Openeye Name: 10-[1-[11-(1-oxidopyridin-1-ium-3-yl)undecyl]pyridin-1-ium-3-yl]decan-1-ol iodide CAS Name: 10-[1-[11-(1-oxido-3-pyridin-1-iumyl)undecyl]-3-pyridin-1-iumyl]-1-decanol iodide IUPAC Name: 10-[1-[11-(1-oxidopyridin-1-ium-3-yl)undecyl]pyridin-1-ium-3-yl]decan-1-ol iodide Traditional Name: 10-[1-[11-(1-oxidopyridin-1-ium-3-yl)undecyl]pyridin-1-ium-3-yl]decan-1-ol iodide Formula: C31H51IN2O2 MolecularWeight: 610.65331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCCCCCCCCCC2=C[N+](=CC=C2)[O-])CCCCCCCCCCO.[I-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCCCCCCCCCC2=C[N+](=CC=C2)[O-])CCCCCCCCCCO.[I-]

InChI

InChI=1S/C31H51N2O2.HI/c34-27-17-13-9-5-3-7-10-14-20-30-22-18-25-32(28-30)24-16-12-8-4-1-2-6-11-15-21-31-23-19-26-33(35)29-31;/h18-19,22-23,25-26,28-29,34H,1-17,20-21,24,27H2;1H/q+1;/p-1