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

Systemtic Name: (5-dithiocarboxy-2-phenoxy-3-pyrrolidin-1-yl-phenyl)sulfonylazanide; hexadecyl(trimethyl)azanium Openeye Name: (5-dithiocarboxy-2-phenoxy-3-pyrrolidin-1-yl-phenyl)sulfonylazanide; hexadecyl(trimethyl)ammonium CAS Name: [5-dithiocarboxy-2-phenoxy-3-(1-pyrrolidinyl)phenyl]sulfonylazanide; hexadecyl(trimethyl)ammonium IUPAC Name: (5-dithiocarboxy-2-phenoxy-3-pyrrolidin-1-ylphenyl)sulfonylazanide; hexadecyl(trimethyl)azanium Traditional Name: cetyl(trimethyl)ammonium; (5-dithiocarboxy-2-phenoxy-3-pyrrolidino-phenyl)sulfonylazanide Formula: C36H59N3O3S3 MolecularWeight: 678.06696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H42N.C17H18N2O3S3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;18-25(20,21)15-11-12(17(23)24)10-14(19-8-4-5-9-19)16(15)22-13-6-2-1-3-7-13/h5-19H2,1-4H3;1-3,6-7,10-11H,4-5,8-9H2,(H3,18,20,21,23,24)/q+1;/p-1