N-heptyl-1-[6-[4-(heptylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-amine dichloride

Systemtic Name: N-heptyl-1-[6-[4-(heptylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-amine dichloride Openeye Name: N-heptyl-1-[6-[4-(heptylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-amine dichloride CAS Name: N-heptyl-1-[6-[4-(heptylamino)-1-pyridin-1-iumyl]hexyl]-4-pyridin-1-iumamine dichloride IUPAC Name: N-heptyl-1-[6-[4-(heptylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-amine dichloride Traditional Name: heptyl-[1-[6-[4-(heptylamino)pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]amine dichloride Formula: C30H52Cl2N4 MolecularWeight: 539.66668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=CC=[N+](C=C1)CCCCCC[N+]2=CC=C(C=C2)NCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCNC1=CC=[N+](C=C1)CCCCCC[N+]2=CC=C(C=C2)NCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C30H50N4.2ClH/c1-3-5-7-9-13-21-31-29-17-25-33(26-18-29)23-15-11-12-16-24-34-27-19-30(20-28-34)32-22-14-10-8-6-4-2;;/h17-20,25-28H,3-16,21-24H2,1-2H3;2*1H