dodecyl-dimethyl-(phenylmethyl)azanium; (4-methylphenyl)-oxidanyl-oxidanylidene-sulfanylidene-$l^{6}-sulfane

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium; (4-methylphenyl)-oxidanyl-oxidanylidene-sulfanylidene-$l^{6}-sulfane Openeye Name: benzyl-dodecyl-dimethyl-ammonium; hydroxy-oxo-(p-tolyl)-thioxo-$l^{6}-sulfane CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium; hydroxy-(4-methylphenyl)-oxo-sulfanylidene-$l^{6}-sulfane IUPAC Name: benzyl-dodecyl-dimethylazanium; hydroxy-(4-methylphenyl)-oxo-sulfanylidene-$l^{6}-sulfane Traditional Name: benzyl-lauryl-dimethyl-ammonium; hydroxy-keto-(p-tolyl)-thioxo-$l^{6}-sulfane Formula: C28H46NO2S2+ MolecularWeight: 492.80034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N.C7H8O2S2/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;1-6-2-4-7(5-3-6)11(8,9)10/h13-15,17-18H,4-12,16,19-20H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;