16-[3-[12-[1-(16-azanylhexadecyl)pyridin-1-ium-3-yl]dodecyl]pyridin-1-ium-1-yl]hexadecan-1-amine

Systemtic Name: 16-[3-[12-[1-(16-azanylhexadecyl)pyridin-1-ium-3-yl]dodecyl]pyridin-1-ium-1-yl]hexadecan-1-amine Openeye Name: 16-[3-[12-[1-(16-aminohexadecyl)pyridin-1-ium-3-yl]dodecyl]pyridin-1-ium-1-yl]hexadecan-1-amine CAS Name: 16-[3-[12-[1-(16-aminohexadecyl)-3-pyridin-1-iumyl]dodecyl]-1-pyridin-1-iumyl]-1-hexadecanamine IUPAC Name: 16-[3-[12-[1-(16-aminohexadecyl)pyridin-1-ium-3-yl]dodecyl]pyridin-1-ium-1-yl]hexadecan-1-amine Traditional Name: 16-[3-[12-[1-(16-aminohexadecyl)pyridin-1-ium-3-yl]dodecyl]pyridin-1-ium-1-yl]hexadecylamine Formula: C54H100N4+2 MolecularWeight: 805.3986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCCCCCCCCCCCCCCN)CCCCCCCCCCCCC2=C[N+](=CC=C2)CCCCCCCCCCCCCCCCN

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCCCCCCCCCCCCCCN)CCCCCCCCCCCCC2=C[N+](=CC=C2)CCCCCCCCCCCCCCCCN

InChI

InChI=1S/C54H100N4/c55-45-35-29-23-17-11-5-1-3-7-13-19-25-31-37-47-57-49-39-43-53(51-57)41-33-27-21-15-9-10-16-22-28-34-42-54-44-40-50-58(52-54)48-38-32-26-20-14-8-4-2-6-12-18-24-30-36-46-56/h39-40,43-44,49-52H,1-38,41-42,45-48,55-56H2/q+2