N-hexyl-1-[14-[4-(hexylamino)pyridin-1-ium-1-yl]tetradecyl]pyridin-1-ium-4-amine dichloride

Systemtic Name: N-hexyl-1-[14-[4-(hexylamino)pyridin-1-ium-1-yl]tetradecyl]pyridin-1-ium-4-amine dichloride Openeye Name: N-hexyl-1-[14-[4-(hexylamino)pyridin-1-ium-1-yl]tetradecyl]pyridin-1-ium-4-amine dichloride CAS Name: N-hexyl-1-[14-[4-(hexylamino)-1-pyridin-1-iumyl]tetradecyl]-4-pyridin-1-iumamine dichloride IUPAC Name: N-hexyl-1-[14-[4-(hexylamino)pyridin-1-ium-1-yl]tetradecyl]pyridin-1-ium-4-amine dichloride Traditional Name: hexyl-[1-[14-[4-(hexylamino)pyridin-1-ium-1-yl]tetradecyl]pyridin-1-ium-4-yl]amine dichloride Formula: C36H64Cl2N4 MolecularWeight: 623.82616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC=[N+](C=C1)CCCCCCCCCCCCCC[N+]2=CC=C(C=C2)NCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCNC1=CC=[N+](C=C1)CCCCCCCCCCCCCC[N+]2=CC=C(C=C2)NCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C36H62N4.2ClH/c1-3-5-7-19-27-37-35-23-31-39(32-24-35)29-21-17-15-13-11-9-10-12-14-16-18-22-30-40-33-25-36(26-34-40)38-28-20-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H