bis[6-[dimethyl-(phenylmethyl)azaniumyl]hexyl]-methyl-(phenylmethyl)azanium

Systemtic Name: bis[6-[dimethyl-(phenylmethyl)azaniumyl]hexyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-bis[6-[benzyl(dimethyl)ammonio]hexyl]-methyl-ammonium CAS Name: bis[6-[dimethyl-(phenylmethyl)ammonio]hexyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-bis[6-[benzyl(dimethyl)azaniumyl]hexyl]-methylazanium Traditional Name: benzyl-bis[6-[benzyl(dimethyl)ammonio]hexyl]-methyl-ammonium Formula: C38H60N3+3 MolecularWeight: 558.9031

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCC[N+](C)(CCCCCC[N+](C)(C)CC1=CC=CC=C1)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[N+](C)(CCCCCC[N+](C)(CCCCCC[N+](C)(C)CC1=CC=CC=C1)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C38H60N3/c1-39(2,33-36-23-13-10-14-24-36)29-19-6-8-21-31-41(5,35-38-27-17-12-18-28-38)32-22-9-7-20-30-40(3,4)34-37-25-15-11-16-26-37/h10-18,23-28H,6-9,19-22,29-35H2,1-5H3/q+3