N-heptyl-1-[12-[4-(heptylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine

Systemtic Name: N-heptyl-1-[12-[4-(heptylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine Openeye Name: N-heptyl-1-[12-[4-(heptylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine CAS Name: N-heptyl-1-[12-[4-(heptylamino)-1-pyridin-1-iumyl]dodecyl]-4-pyridin-1-iumamine IUPAC Name: N-heptyl-1-[12-[4-(heptylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-amine Traditional Name: heptyl-[1-[12-[4-(heptylamino)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]amine Formula: C36H64N4+2 MolecularWeight: 552.92016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=CC=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)NCCCCCCC

Isomeric SMILES

CCCCCCCNC1=CC=[N+](C=C1)CCCCCCCCCCCC[N+]2=CC=C(C=C2)NCCCCCCC

InChI

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