N-octyl-1-[8-[4-(octylamino)pyridin-1-ium-1-yl]octyl]pyridin-1-ium-4-amine dichloride

Systemtic Name: N-octyl-1-[8-[4-(octylamino)pyridin-1-ium-1-yl]octyl]pyridin-1-ium-4-amine dichloride Openeye Name: N-octyl-1-[8-[4-(octylamino)pyridin-1-ium-1-yl]octyl]pyridin-1-ium-4-amine dichloride CAS Name: N-octyl-1-[8-[4-(octylamino)-1-pyridin-1-iumyl]octyl]-4-pyridin-1-iumamine dichloride IUPAC Name: N-octyl-1-[8-[4-(octylamino)pyridin-1-ium-1-yl]octyl]pyridin-1-ium-4-amine dichloride Traditional Name: octyl-[1-[8-[4-(octylamino)pyridin-1-ium-1-yl]octyl]pyridin-1-ium-4-yl]amine dichloride Formula: C34H60Cl2N4 MolecularWeight: 595.773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H58N4.2ClH/c1-3-5-7-9-13-17-25-35-33-21-29-37(30-22-33)27-19-15-11-12-16-20-28-38-31-23-34(24-32-38)36-26-18-14-10-8-6-4-2;;/h21-24,29-32H,3-20,25-28H2,1-2H3;2*1H