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hexadecyl-dimethyl-(1-phenylpropyl)azanium chloride

hexadecyl-dimethyl-(1-phenylpropyl)azanium chloride

Systemtic Name:hexadecyl-dimethyl-(1-phenylpropyl)azanium chloride
Openeye Name:hexadecyl-dimethyl-(1-phenylpropyl)ammonium chloride
CAS Name:hexadecyl-dimethyl-(1-phenylpropyl)ammonium chloride
IUPAC Name:hexadecyl-dimethyl-(1-phenylpropyl)azanium chloride
Traditional Name:cetyl-dimethyl-(1-phenylpropyl)ammonium chloride
Formula: C27H50ClN
MolecularWeight: 424.1456
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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