1-dodecylpyridin-1-ium; tris(hydroxymethyl)-octadecyl-azanium; dichloride

Systemtic Name: 1-dodecylpyridin-1-ium; tris(hydroxymethyl)-octadecyl-azanium; dichloride Openeye Name: 1-dodecylpyridin-1-ium; tris(hydroxymethyl)-octadecyl-ammonium; dichloride CAS Name: 1-dodecylpyridin-1-ium; tris(hydroxymethyl)-octadecylammonium; dichloride IUPAC Name: 1-dodecylpyridin-1-ium; tris(hydroxymethyl)-octadecylazanium; dichloride Traditional Name: 1-laurylpyridin-1-ium; trimethylol(stearyl)ammonium; dichloride Formula: C38H76Cl2N2O3 MolecularWeight: 679.92764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CO)(CO)CO.CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CO)(CO)CO.CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/C21H46NO3.C17H30N.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19-23,20-24)21-25;1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;;/h23-25H,2-21H2,1H3;11,13-14,16-17H,2-10,12,15H2,1H3;2*1H/q2*+1;;/p-2