hexadecyl(trimethyl)azanium; trimethyl(octadecyl)azanium; dichloride

Systemtic Name: hexadecyl(trimethyl)azanium; trimethyl(octadecyl)azanium; dichloride Openeye Name: hexadecyl(trimethyl)ammonium; trimethyl(octadecyl)ammonium; dichloride CAS Name: hexadecyl(trimethyl)ammonium; trimethyl(octadecyl)ammonium; dichloride IUPAC Name: hexadecyl(trimethyl)azanium; trimethyl(octadecyl)azanium; dichloride Traditional Name: cetyl(trimethyl)ammonium; trimethyl(stearyl)ammonium; dichloride Formula: C40H88Cl2N2 MolecularWeight: 668.04612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C21H46N.C19H42N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;/h5-21H2,1-4H3;5-19H2,1-4H3;2*1H/q2*+1;;/p-2