[3-[dimethyl(octyl)azaniumyl]-2-oxidanyl-propyl]-dimethyl-octyl-azanium dichloride

Systemtic Name: [3-[dimethyl(octyl)azaniumyl]-2-oxidanyl-propyl]-dimethyl-octyl-azanium dichloride Openeye Name: [3-[dimethyl(octyl)ammonio]-2-hydroxy-propyl]-dimethyl-octyl-ammonium dichloride CAS Name: [3-[dimethyl(octyl)ammonio]-2-hydroxypropyl]-dimethyl-octylammonium dichloride IUPAC Name: [3-[dimethyl(octyl)azaniumyl]-2-hydroxypropyl]-dimethyl-octylazanium dichloride Traditional Name: [3-[dimethyl(octyl)ammonio]-2-hydroxy-propyl]-dimethyl-octyl-ammonium dichloride Formula: C23H52Cl2N2O MolecularWeight: 443.57778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CC(C[N+](C)(C)CCCCCCCC)O.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCC[N+](C)(C)CC(C[N+](C)(C)CCCCCCCC)O.[Cl-].[Cl-]

InChI

InChI=1S/C23H52N2O.2ClH/c1-7-9-11-13-15-17-19-24(3,4)21-23(26)22-25(5,6)20-18-16-14-12-10-8-2;;/h23,26H,7-22H2,1-6H3;2*1H/q+2;;/p-2