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

Systemtic Name: dimethyl-(phenylmethyl)-tetradecyl-azanium; 6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate Openeye Name: benzyl-dimethyl-tetradecyl-ammonium; 6-methyl-2,2-dioxo-oxathiazin-4-olate CAS Name: dimethyl-(phenylmethyl)-tetradecylammonium; 6-methyl-2,2-dioxo-4-oxathiazinolate IUPAC Name: benzyl-dimethyl-tetradecylazanium; 6-methyl-2,2-dioxooxathiazin-4-olate Traditional Name: benzyl-dimethyl-myristyl-ammonium; 2,2-diketo-6-methyl-oxathiazin-4-olate Formula: C27H46N2O4S MolecularWeight: 494.73014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42N.C4H5NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;1-3-2-4(6)5-10(7,8)9-3/h15-17,19-20H,4-14,18,21-22H2,1-3H3;2H,1H3,(H,5,6)/q+1;/p-1