methyl-tri(nonyl)azanium; tetradecan-2-ylazanium; dichloride

Systemtic Name: methyl-tri(nonyl)azanium; tetradecan-2-ylazanium; dichloride Openeye Name: 1-methyltridecylammonium; methyl-tri(nonyl)ammonium; dichloride CAS Name: methyl-tri(nonyl)ammonium; tetradecan-2-ylammonium; dichloride IUPAC Name: methyl-tri(nonyl)azanium; tetradecan-2-ylazanium; dichloride Traditional Name: 1-methyltridecylammonium; methyl-tri(nonyl)ammonium; dichloride Formula: C42H92Cl2N2 MolecularWeight: 696.09928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)[NH3+].CCCCCCCCC[N+](C)(CCCCCCCCC)CCCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC(C)[NH3+].CCCCCCCCC[N+](C)(CCCCCCCCC)CCCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C28H60N.C14H31N.2ClH/c1-5-8-11-14-17-20-23-26-29(4,27-24-21-18-15-12-9-6-2)28-25-22-19-16-13-10-7-3;1-3-4-5-6-7-8-9-10-11-12-13-14(2)15;;/h5-28H2,1-4H3;14H,3-13,15H2,1-2H3;2*1H/q+1;;;/p-1