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

Systemtic Name: 13-[1-[13-(1-oxidanidylpyridin-1-ium-3-yl)tridecyl]pyridin-1-ium-3-yl]tridecan-1-amine Openeye Name: 13-[1-[13-(1-oxidopyridin-1-ium-3-yl)tridecyl]pyridin-1-ium-3-yl]tridecan-1-amine CAS Name: 13-[1-[13-(1-oxido-3-pyridin-1-iumyl)tridecyl]-3-pyridin-1-iumyl]-1-tridecanamine IUPAC Name: 13-[1-[13-(1-oxidopyridin-1-ium-3-yl)tridecyl]pyridin-1-ium-3-yl]tridecan-1-amine Traditional Name: 13-[1-[13-(1-oxidopyridin-1-ium-3-yl)tridecyl]pyridin-1-ium-3-yl]tridecylamine Formula: C36H62N3O+ MolecularWeight: 552.89698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H62N3O/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/q+1