N-octyl-1-[6-[4-(octylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-amine dichloride

Systemtic Name: N-octyl-1-[6-[4-(octylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-amine dichloride Openeye Name: N-octyl-1-[6-[4-(octylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-amine dichloride CAS Name: N-octyl-1-[6-[4-(octylamino)-1-pyridin-1-iumyl]hexyl]-4-pyridin-1-iumamine dichloride IUPAC Name: N-octyl-1-[6-[4-(octylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-amine dichloride Traditional Name: octyl-[1-[6-[4-(octylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]amine dichloride Formula: C32H56Cl2N4 MolecularWeight: 567.71984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H54N4.2ClH/c1-3-5-7-9-11-15-23-33-31-19-27-35(28-20-31)25-17-13-14-18-26-36-29-21-32(22-30-36)34-24-16-12-10-8-6-4-2;;/h19-22,27-30H,3-18,23-26H2,1-2H3;2*1H