dodecyl-dimethyl-(phenylmethyl)azanium; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate Openeye Name: benzyl-dodecyl-dimethyl-ammonium; 6-methyl-2,2-dioxo-oxathiazin-4-olate CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium; 6-methyl-2,2-dioxo-4-oxathiazinolate IUPAC Name: benzyl-dodecyl-dimethylazanium; 6-methyl-2,2-dioxooxathiazin-4-olate Traditional Name: benzyl-lauryl-dimethyl-ammonium; 2,2-diketo-6-methyl-oxathiazin-4-olate Formula: C25H42N2O4S MolecularWeight: 466.67698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC1=CC(=NS(=O)(=O)O1)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC1=CC(=NS(=O)(=O)O1)[O-]

InChI

InChI=1S/C21H38N.C4H5NO4S/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;1-3-2-4(6)5-10(7,8)9-3/h13-15,17-18H,4-12,16,19-20H2,1-3H3;2H,1H3,(H,5,6)/q+1;/p-1