1-(2,3-dimethylphenyl)octadecyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dichloride

Systemtic Name: 1-(2,3-dimethylphenyl)octadecyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dichloride Openeye Name: 1-(2,3-dimethylphenyl)octadecyl-dimethyl-[3-(trimethylammonio)propyl]ammonium dichloride CAS Name: 1-(2,3-dimethylphenyl)octadecyl-dimethyl-[3-(trimethylammonio)propyl]ammonium dichloride IUPAC Name: 1-(2,3-dimethylphenyl)octadecyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dichloride Traditional Name: 1-(2,3-dimethylphenyl)octadecyl-dimethyl-[3-(trimethylammonio)propyl]ammonium dichloride Formula: C34H66Cl2N2 MolecularWeight: 573.80724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C1=CC=CC(=C1C)C)[N+](C)(C)CCC[N+](C)(C)C.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C1=CC=CC(=C1C)C)[N+](C)(C)CCC[N+](C)(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C34H66N2.2ClH/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-34(33-27-24-26-31(2)32(33)3)36(7,8)30-25-29-35(4,5)6;;/h24,26-27,34H,9-23,25,28-30H2,1-8H3;2*1H/q+2;;/p-2