trihexyl-[[1-[2-[(trihexylazaniumyl)methyl]naphthalen-1-yl]naphthalen-2-yl]methyl]azanium

Systemtic Name: trihexyl-[[1-[2-[(trihexylazaniumyl)methyl]naphthalen-1-yl]naphthalen-2-yl]methyl]azanium Openeye Name: trihexyl-[[1-[2-[(trihexylammonio)methyl]-1-naphthyl]-2-naphthyl]methyl]ammonium CAS Name: trihexyl-[[1-[2-[(trihexylammonio)methyl]-1-naphthalenyl]-2-naphthalenyl]methyl]ammonium IUPAC Name: trihexyl-[[1-[2-[(trihexylazaniumyl)methyl]naphthalen-1-yl]naphthalen-2-yl]methyl]azanium Traditional Name: trihexyl-[[1-[2-[(trihexylammonio)methyl]-1-naphthyl]-2-naphthyl]methyl]ammonium Formula: C58H94N2+2 MolecularWeight: 819.38036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCCCC)(CCCCCC)CC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)C[N+](CCCCCC)(CCCCCC)CCCCCC

Isomeric SMILES

CCCCCC[N+](CCCCCC)(CCCCCC)CC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)C[N+](CCCCCC)(CCCCCC)CCCCCC

InChI

InChI=1S/C58H94N2/c1-7-13-19-29-43-59(44-30-20-14-8-2,45-31-21-15-9-3)49-53-41-39-51-35-25-27-37-55(51)57(53)58-54(42-40-52-36-26-28-38-56(52)58)50-60(46-32-22-16-10-4,47-33-23-17-11-5)48-34-24-18-12-6/h25-28,35-42H,7-24,29-34,43-50H2,1-6H3/q+2