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

Systemtic Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium; methanethiolate Openeye Name: 2,3-dihydrobenzofuran-7-yloxycarbonyl(trimethyl)ammonium; methanethiolate CAS Name: [2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-trimethylammonium; methanethiolate IUPAC Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium; methanethiolate Traditional Name: coumaran-7-yloxycarbonyl(trimethyl)ammonium; methanethiolate Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO3.CH4S/c1-13(2,3)12(14)16-10-6-4-5-9-7-8-15-11(9)10;1-2/h4-6H,7-8H2,1-3H3;2H,1H3/q+1;/p-1