diheptyl(dimethyl)azanium; 2-(2-dodecylphenyl)propan-2-ylazanium; dichloride

Systemtic Name: diheptyl(dimethyl)azanium; 2-(2-dodecylphenyl)propan-2-ylazanium; dichloride Openeye Name: diheptyl(dimethyl)ammonium; [1-(2-dodecylphenyl)-1-methyl-ethyl]ammonium; dichloride CAS Name: diheptyl(dimethyl)ammonium; 2-(2-dodecylphenyl)propan-2-ylammonium; dichloride IUPAC Name: diheptyl(dimethyl)azanium; 2-(2-dodecylphenyl)propan-2-ylazanium; dichloride Traditional Name: diheptyl(dimethyl)ammonium; [1-(2-laurylphenyl)-1-methyl-ethyl]ammonium; dichloride Formula: C37H74Cl2N2 MolecularWeight: 617.90286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].CCCCCCC[N+](C)(C)CCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].CCCCCCC[N+](C)(C)CCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C21H37N.C16H36N.2ClH/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)21(2,3)22;1-5-7-9-11-13-15-17(3,4)16-14-12-10-8-6-2;;/h14-15,17-18H,4-13,16,22H2,1-3H3;5-16H2,1-4H3;2*1H/q;+1;;/p-1