14-[1-[11-(1-oxidanidylpyridin-1-ium-3-yl)undecyl]pyridin-1-ium-3-yl]tetradecan-1-ol iodide

Systemtic Name: 14-[1-[11-(1-oxidanidylpyridin-1-ium-3-yl)undecyl]pyridin-1-ium-3-yl]tetradecan-1-ol iodide Openeye Name: 14-[1-[11-(1-oxidopyridin-1-ium-3-yl)undecyl]pyridin-1-ium-3-yl]tetradecan-1-ol iodide CAS Name: 14-[1-[11-(1-oxido-3-pyridin-1-iumyl)undecyl]-3-pyridin-1-iumyl]-1-tetradecanol iodide IUPAC Name: 14-[1-[11-(1-oxidopyridin-1-ium-3-yl)undecyl]pyridin-1-ium-3-yl]tetradecan-1-ol iodide Traditional Name: 14-[1-[11-(1-oxidopyridin-1-ium-3-yl)undecyl]pyridin-1-ium-3-yl]tetradecan-1-ol iodide Formula: C35H59IN2O2 MolecularWeight: 666.75963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H59N2O2.HI/c38-31-21-17-13-9-4-2-1-3-6-10-14-18-24-34-26-22-29-36(32-34)28-20-16-12-8-5-7-11-15-19-25-35-27-23-30-37(39)33-35;/h22-23,26-27,29-30,32-33,38H,1-21,24-25,28,31H2;1H/q+1;/p-1