[3-[[dimethyl(tetradecyl)azaniumyl]methyl]phenyl]methyl-dimethyl-tetradecyl-azanium dichloride

Systemtic Name: [3-[[dimethyl(tetradecyl)azaniumyl]methyl]phenyl]methyl-dimethyl-tetradecyl-azanium dichloride Openeye Name: [3-[[dimethyl(tetradecyl)ammonio]methyl]phenyl]methyl-dimethyl-tetradecyl-ammonium dichloride CAS Name: [3-[[dimethyl(tetradecyl)ammonio]methyl]phenyl]methyl-dimethyl-tetradecylammonium dichloride IUPAC Name: [3-[[dimethyl(tetradecyl)azaniumyl]methyl]phenyl]methyl-dimethyl-tetradecylazanium dichloride Traditional Name: [3-[[dimethyl(myristyl)ammonio]methyl]benzyl]-dimethyl-myristyl-ammonium dichloride Formula: C40H78Cl2N2 MolecularWeight: 657.96672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC(=CC=C1)C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC(=CC=C1)C[N+](C)(C)CCCCCCCCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C40H78N2.2ClH/c1-7-9-11-13-15-17-19-21-23-25-27-29-34-41(3,4)37-39-32-31-33-40(36-39)38-42(5,6)35-30-28-26-24-22-20-18-16-14-12-10-8-2;;/h31-33,36H,7-30,34-35,37-38H2,1-6H3;2*1H/q+2;;/p-2