1-(4-methoxyphenyl)octadecyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dichloride

Systemtic Name: 1-(4-methoxyphenyl)octadecyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dichloride Openeye Name: 1-(4-methoxyphenyl)octadecyl-dimethyl-[3-(trimethylammonio)propyl]ammonium dichloride CAS Name: 1-(4-methoxyphenyl)octadecyl-dimethyl-[3-(trimethylammonio)propyl]ammonium dichloride IUPAC Name: 1-(4-methoxyphenyl)octadecyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dichloride Traditional Name: 1-(4-methoxyphenyl)octadecyl-dimethyl-[3-(trimethylammonio)propyl]ammonium dichloride Formula: C33H64Cl2N2O MolecularWeight: 575.78006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H64N2O.2ClH/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-33(31-25-27-32(36-7)28-26-31)35(5,6)30-23-29-34(2,3)4;;/h25-28,33H,8-24,29-30H2,1-7H3;2*1H/q+2;;/p-2