13-[1-[13-(1-oxidanidylpyridin-1-ium-3-yl)tridecyl]pyridin-1-ium-3-yl]tridecan-1-amine chloride

Systemtic Name: 13-[1-[13-(1-oxidanidylpyridin-1-ium-3-yl)tridecyl]pyridin-1-ium-3-yl]tridecan-1-amine chloride Openeye Name: 13-[1-[13-(1-oxidopyridin-1-ium-3-yl)tridecyl]pyridin-1-ium-3-yl]tridecan-1-amine chloride CAS Name: 13-[1-[13-(1-oxido-3-pyridin-1-iumyl)tridecyl]-3-pyridin-1-iumyl]-1-tridecanamine chloride IUPAC Name: 13-[1-[13-(1-oxidopyridin-1-ium-3-yl)tridecyl]pyridin-1-ium-3-yl]tridecan-1-amine chloride Traditional Name: 13-[1-[13-(1-oxidopyridin-1-ium-3-yl)tridecyl]pyridin-1-ium-3-yl]tridecylamine chloride Formula: C36H62ClN3O MolecularWeight: 588.34998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCCCCCCCCCCCC2=C[N+](=CC=C2)[O-])CCCCCCCCCCCCCN.[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCCCCCCCCCCCC2=C[N+](=CC=C2)[O-])CCCCCCCCCCCCCN.[Cl-]

InChI

InChI=1S/C36H62N3O.ClH/c37-29-21-17-13-9-5-1-3-7-11-15-19-25-35-27-23-31-38(33-35)30-22-18-14-10-6-2-4-8-12-16-20-26-36-28-24-32-39(40)34-36;/h23-24,27-28,31-34H,1-22,25-26,29-30,37H2;1H/q+1;/p-1