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dimethyl-octadecyl-(phenylmethyl)azanium dichloride

dimethyl-octadecyl-(phenylmethyl)azanium dichloride

Systemtic Name:dimethyl-octadecyl-(phenylmethyl)azanium dichloride
Openeye Name:benzyl-dimethyl-octadecyl-ammonium dichloride
CAS Name:dimethyl-octadecyl-(phenylmethyl)ammonium dichloride
IUPAC Name:benzyl-dimethyl-octadecylazanium dichloride
Traditional Name:benzyl-dimethyl-stearyl-ammonium dichloride
Formula: C27H50Cl2N-
MolecularWeight: 459.5986
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H50N.2ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;2*1H/q+1;;/p-2


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