dimethyl(dioctadecyl)azanium; dimethyl-octadecyl-(phenylmethyl)azanium; dichloride

Systemtic Name: dimethyl(dioctadecyl)azanium; dimethyl-octadecyl-(phenylmethyl)azanium; dichloride Openeye Name: benzyl-dimethyl-octadecyl-ammonium; dimethyl(dioctadecyl)ammonium; dichloride CAS Name: dimethyl(dioctadecyl)ammonium; dimethyl-octadecyl-(phenylmethyl)ammonium; dichloride IUPAC Name: benzyl-dimethyl-octadecylazanium; dimethyl(dioctadecyl)azanium; dichloride Traditional Name: benzyl-dimethyl-stearyl-ammonium; dimethyl(distearyl)ammonium; dichloride Formula: C65H130Cl2N2 MolecularWeight: 1010.6471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/C38H80N.C27H50N.2ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;;/h5-38H2,1-4H3;19-21,23-24H,4-18,22,25-26H2,1-3H3;2*1H/q2*+1;;/p-2