12-[1-[10-(1-oxidanidylpyridin-1-ium-3-yl)decyl]pyridin-1-ium-3-yl]dodecan-1-ol iodide

Systemtic Name: 12-[1-[10-(1-oxidanidylpyridin-1-ium-3-yl)decyl]pyridin-1-ium-3-yl]dodecan-1-ol iodide Openeye Name: 12-[1-[10-(1-oxidopyridin-1-ium-3-yl)decyl]pyridin-1-ium-3-yl]dodecan-1-ol iodide CAS Name: 12-[1-[10-(1-oxido-3-pyridin-1-iumyl)decyl]-3-pyridin-1-iumyl]-1-dodecanol iodide IUPAC Name: 12-[1-[10-(1-oxidopyridin-1-ium-3-yl)decyl]pyridin-1-ium-3-yl]dodecan-1-ol iodide Traditional Name: 12-[1-[10-(1-oxidopyridin-1-ium-3-yl)decyl]pyridin-1-ium-3-yl]dodecan-1-ol iodide Formula: C32H53IN2O2 MolecularWeight: 624.67989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCCCCCCCCC2=C[N+](=CC=C2)[O-])CCCCCCCCCCCCO.[I-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCCCCCCCCC2=C[N+](=CC=C2)[O-])CCCCCCCCCCCCO.[I-]

InChI

InChI=1S/C32H53N2O2.HI/c35-28-18-14-10-6-2-1-3-7-11-15-21-31-23-19-26-33(29-31)25-17-13-9-5-4-8-12-16-22-32-24-20-27-34(36)30-32;/h19-20,23-24,26-27,29-30,35H,1-18,21-22,25,28H2;1H/q+1;/p-1