butyl-(2,3-dihydro-1-benzofuran-7-yloxycarbonyl)-dipropyl-azanium; (E)-prop-1-ene-1-thiolate

Systemtic Name: butyl-(2,3-dihydro-1-benzofuran-7-yloxycarbonyl)-dipropyl-azanium; (E)-prop-1-ene-1-thiolate Openeye Name: butyl-(2,3-dihydrobenzofuran-7-yloxycarbonyl)-dipropyl-ammonium; (E)-prop-1-ene-1-thiolate CAS Name: butyl-[2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-dipropylammonium; (E)-1-propene-1-thiolate IUPAC Name: butyl-(2,3-dihydro-1-benzofuran-7-yloxycarbonyl)-dipropylazanium; (E)-prop-1-ene-1-thiolate Traditional Name: butyl-coumaran-7-yloxycarbonyl-dipropyl-ammonium; (E)-prop-1-ene-1-thiolate Formula: C22H35NO3S MolecularWeight: 393.5832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30NO3.C3H6S/c1-4-7-14-20(12-5-2,13-6-3)19(21)23-17-10-8-9-16-11-15-22-18(16)17;1-2-3-4/h8-10H,4-7,11-15H2,1-3H3;2-4H,1H3/q+1;/p-1/b;3-2+