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hexadecyl-dimethyl-(phenylmethyl)azanium; sulfurothioic O-acid

hexadecyl-dimethyl-(phenylmethyl)azanium; sulfurothioic O-acid

Systemtic Name:hexadecyl-dimethyl-(phenylmethyl)azanium; sulfurothioic O-acid
Openeye Name:benzyl-hexadecyl-dimethyl-ammonium; sulfurothioic O-acid
CAS Name:hexadecyl-dimethyl-(phenylmethyl)ammonium; sulfurothioic O-acid
IUPAC Name:benzyl-hexadecyl-dimethylazanium; sulfurothioic O-acid
Traditional Name:benzyl-cetyl-dimethyl-ammonium; sulfurothioic O-acid
Formula: C25H48NO3S2+
MolecularWeight: 474.78352
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.OS(=O)(=S)O


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.OS(=O)(=S)O


InChI

InChI=1S/C25H46N.H2O3S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;1-5(2,3)4/h17-19,21-22H,4-16,20,23-24H2,1-3H3;(H2,1,2,3,4)/q+1;


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