3-(4-aminophenyl)carbonyloxypropyl-trimethyl-azanium; bis(trifluoromethylsulfonyl)azanide

Systemtic Name: 3-(4-aminophenyl)carbonyloxypropyl-trimethyl-azanium; bis(trifluoromethylsulfonyl)azanide Openeye Name: 3-(4-aminobenzoyl)oxypropyl-trimethyl-ammonium; bis(trifluoromethylsulfonyl)azanide CAS Name: 3-[(4-aminophenyl)-oxomethoxy]propyl-trimethylammonium; bis(trifluoromethylsulfonyl)azanide IUPAC Name: 3-(4-aminobenzoyl)oxypropyl-trimethylazanium; bis(trifluoromethylsulfonyl)azanide Traditional Name: 3-(4-aminobenzoyl)oxypropyl-trimethyl-ammonium; ditriflylazanide Formula: C15H21F6N3O6S2 MolecularWeight: 517.464159

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC(=O)C1=CC=C(C=C1)N.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

Isomeric SMILES

C[N+](C)(C)CCCOC(=O)C1=CC=C(C=C1)N.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H20N2O2.C2F6NO4S2/c1-15(2,3)9-4-10-17-13(16)11-5-7-12(14)8-6-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H,4,9-10H2,1-3H3,(H-,14,16);/q;-1/p+1