butane-1-thiolate; 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(triethyl)azanium

Systemtic Name: butane-1-thiolate; 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(triethyl)azanium Openeye Name: butane-1-thiolate; 2,3-dihydrobenzofuran-7-yloxycarbonyl(triethyl)ammonium CAS Name: 1-butanethiolate; [2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-triethylammonium IUPAC Name: butane-1-thiolate; 2,3-dihydro-1-benzofuran-7-yloxycarbonyl(triethyl)azanium Traditional Name: butane-1-thiolate; coumaran-7-yloxycarbonyl(triethyl)ammonium Formula: C19H31NO3S MolecularWeight: 353.51934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22NO3.C4H10S/c1-4-16(5-2,6-3)15(17)19-13-9-7-8-12-10-11-18-14(12)13;1-2-3-4-5/h7-9H,4-6,10-11H2,1-3H3;5H,2-4H2,1H3/q+1;/p-1