3-[13-[1-(13-pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecylamino]propanoate

Systemtic Name: 3-[13-[1-(13-pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecylamino]propanoate Openeye Name: 3-[13-[1-[13-(3-pyridyl)tridecyl]pyridin-1-ium-3-yl]tridecylamino]propanoate CAS Name: 3-[13-[1-[13-(3-pyridinyl)tridecyl]-3-pyridin-1-iumyl]tridecylamino]propanoate IUPAC Name: 3-[13-[1-(13-pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecylamino]propanoate Traditional Name: 3-[13-[1-[13-(3-pyridyl)tridecyl]pyridin-1-ium-3-yl]tridecylamino]propionate Formula: C39H65N3O2 MolecularWeight: 607.9523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCCCCCCCCCCC[N+]2=CC=CC(=C2)CCCCCCCCCCCCCNCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CCCCCCCCCCCCC[N+]2=CC=CC(=C2)CCCCCCCCCCCCCNCCC(=O)[O-]

InChI

InChI=1S/C39H65N3O2/c43-39(44)29-32-40-30-21-17-13-9-5-1-3-8-12-16-20-26-38-28-24-34-42(36-38)33-22-18-14-10-6-2-4-7-11-15-19-25-37-27-23-31-41-35-37/h23-24,27-28,31,34-36,40H,1-22,25-26,29-30,32-33H2