2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium; (E)-hept-3-ene-1-thiolate

Systemtic Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium; (E)-hept-3-ene-1-thiolate Openeye Name: 2,3-dihydrobenzofuran-7-yloxycarbonyl(trimethyl)ammonium; (E)-hept-3-ene-1-thiolate CAS Name: [2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-trimethylammonium; (E)-3-heptene-1-thiolate IUPAC Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(trimethyl)azanium; (E)-hept-3-ene-1-thiolate Traditional Name: coumaran-7-yloxycarbonyl(trimethyl)ammonium; (E)-hept-3-ene-1-thiolate Formula: C19H29NO3S MolecularWeight: 351.50346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO3.C7H14S/c1-13(2,3)12(14)16-10-6-4-5-9-7-8-15-11(9)10;1-2-3-4-5-6-7-8/h4-6H,7-8H2,1-3H3;4-5,8H,2-3,6-7H2,1H3/q+1;/p-1/b;5-4+