hexadecyl-dimethyl-(phenylmethyl)azanium; oxidanidyl-oxidanyl-oxidanylidene-sulfanylidene-$l^{6}-sulfane

Systemtic Name: hexadecyl-dimethyl-(phenylmethyl)azanium; oxidanidyl-oxidanyl-oxidanylidene-sulfanylidene-$l^{6}-sulfane Openeye Name: benzyl-hexadecyl-dimethyl-ammonium; hydroxy-oxido-oxo-thioxo-$l^{6}-sulfane CAS Name: hexadecyl-dimethyl-(phenylmethyl)ammonium; hydroxy-oxido-oxo-sulfanylidene-$l^{6}-sulfane IUPAC Name: benzyl-hexadecyl-dimethylazanium; hydroxy-oxido-oxo-sulfanylidene-$l^{6}-sulfane Traditional Name: benzyl-cetyl-dimethyl-ammonium; hydroxy-keto-oxido-thioxo-$l^{6}-sulfane Formula: C25H47NO3S2 MolecularWeight: 473.77558

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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;/p-1