2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium; ethanethiolate

Systemtic Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium; ethanethiolate Openeye Name: 2,3-dihydrobenzofuran-7-yloxycarbonyl(trimethyl)ammonium; ethanethiolate CAS Name: [2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-trimethylammonium; ethanethiolate IUPAC Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium; ethanethiolate Traditional Name: coumaran-7-yloxycarbonyl(trimethyl)ammonium; ethanethiolate Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC[S-].C[N+](C)(C)C(=O)OC1=CC=CC2=C1OCC2

Isomeric SMILES

CC[S-].C[N+](C)(C)C(=O)OC1=CC=CC2=C1OCC2

InChI

InChI=1S/C12H16NO3.C2H6S/c1-13(2,3)12(14)16-10-6-4-5-9-7-8-15-11(9)10;1-2-3/h4-6H,7-8H2,1-3H3;3H,2H2,1H3/q+1;/p-1