trioctyl-[[6-[5-[(trioctylazaniumyl)methyl]pyridin-2-yl]pyridin-3-yl]methyl]azanium

Systemtic Name: trioctyl-[[6-[5-[(trioctylazaniumyl)methyl]pyridin-2-yl]pyridin-3-yl]methyl]azanium Openeye Name: trioctyl-[[6-[5-[(trioctylammonio)methyl]-2-pyridyl]-3-pyridyl]methyl]ammonium CAS Name: trioctyl-[[6-[5-[(trioctylammonio)methyl]-2-pyridinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: trioctyl-[[6-[5-[(trioctylazaniumyl)methyl]pyridin-2-yl]pyridin-3-yl]methyl]azanium Traditional Name: trioctyl-[[6-[5-[(trioctylammonio)methyl]-2-pyridyl]-3-pyridyl]methyl]ammonium Formula: C60H112N4+2 MolecularWeight: 889.55808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CC1=CN=C(C=C1)C2=NC=C(C=C2)C[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CC1=CN=C(C=C1)C2=NC=C(C=C2)C[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C60H112N4/c1-7-13-19-25-31-37-47-63(48-38-32-26-20-14-8-2,49-39-33-27-21-15-9-3)55-57-43-45-59(61-53-57)60-46-44-58(54-62-60)56-64(50-40-34-28-22-16-10-4,51-41-35-29-23-17-11-5)52-42-36-30-24-18-12-6/h43-46,53-54H,7-42,47-52,55-56H2,1-6H3/q+2