N-octyl-1-[9-[4-(octylamino)pyridin-1-ium-1-yl]nonyl]pyridin-1-ium-4-amine dichloride

Systemtic Name: N-octyl-1-[9-[4-(octylamino)pyridin-1-ium-1-yl]nonyl]pyridin-1-ium-4-amine dichloride Openeye Name: N-octyl-1-[9-[4-(octylamino)pyridin-1-ium-1-yl]nonyl]pyridin-1-ium-4-amine dichloride CAS Name: N-octyl-1-[9-[4-(octylamino)-1-pyridin-1-iumyl]nonyl]-4-pyridin-1-iumamine dichloride IUPAC Name: N-octyl-1-[9-[4-(octylamino)pyridin-1-ium-1-yl]nonyl]pyridin-1-ium-4-amine dichloride Traditional Name: octyl-[1-[9-[4-(octylamino)pyridin-1-ium-1-yl]nonyl]pyridin-1-ium-4-yl]amine dichloride Formula: C35H62Cl2N4 MolecularWeight: 609.79958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC=[N+](C=C1)CCCCCCCCC[N+]2=CC=C(C=C2)NCCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCNC1=CC=[N+](C=C1)CCCCCCCCC[N+]2=CC=C(C=C2)NCCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C35H60N4.2ClH/c1-3-5-7-9-14-18-26-36-34-22-30-38(31-23-34)28-20-16-12-11-13-17-21-29-39-32-24-35(25-33-39)37-27-19-15-10-8-6-4-2;;/h22-25,30-33H,3-21,26-29H2,1-2H3;2*1H