hexadecyl(trimethyl)azanium; (2-phenoxy-3-pyrrolidin-1-yl-5-sulfanylcarbonyl-phenyl)sulfonylazanide

Systemtic Name: hexadecyl(trimethyl)azanium; (2-phenoxy-3-pyrrolidin-1-yl-5-sulfanylcarbonyl-phenyl)sulfonylazanide Openeye Name: hexadecyl(trimethyl)ammonium; (2-phenoxy-3-pyrrolidin-1-yl-5-sulfanylcarbonyl-phenyl)sulfonylazanide CAS Name: hexadecyl(trimethyl)ammonium; [5-[mercapto(oxo)methyl]-2-phenoxy-3-(1-pyrrolidinyl)phenyl]sulfonylazanide IUPAC Name: hexadecyl(trimethyl)azanium; (2-phenoxy-3-pyrrolidin-1-yl-5-sulfanylcarbonylphenyl)sulfonylazanide Traditional Name: cetyl(trimethyl)ammonium; (2-phenoxy-3-pyrrolidino-5-thiocarboxy-phenyl)sulfonylazanide Formula: C36H59N3O4S2 MolecularWeight: 662.00136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.C1CCN(C1)C2=C(C(=CC(=C2)C(=O)S)S(=O)(=O)[NH-])OC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.C1CCN(C1)C2=C(C(=CC(=C2)C(=O)S)S(=O)(=O)[NH-])OC3=CC=CC=C3

InChI

InChI=1S/C19H42N.C17H18N2O4S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;18-25(21,22)15-11-12(17(20)24)10-14(19-8-4-5-9-19)16(15)23-13-6-2-1-3-7-13/h5-19H2,1-4H3;1-3,6-7,10-11H,4-5,8-9H2,(H3,18,20,21,22,24)/q+1;/p-1