butyl-(2,3-dihydro-1-benzofuran-7-yloxycarbonyl)-ethyl-methyl-azanium; ethenethiolate

Systemtic Name: butyl-(2,3-dihydro-1-benzofuran-7-yloxycarbonyl)-ethyl-methyl-azanium; ethenethiolate Openeye Name: butyl-(2,3-dihydrobenzofuran-7-yloxycarbonyl)-ethyl-methyl-ammonium; ethenethiolate CAS Name: butyl-[2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-ethyl-methylammonium; ethenethiolate IUPAC Name: butyl-(2,3-dihydro-1-benzofuran-7-yloxycarbonyl)-ethyl-methylazanium; ethenethiolate Traditional Name: butyl-coumaran-7-yloxycarbonyl-ethyl-methyl-ammonium; ethenethiolate Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24NO3.C2H4S/c1-4-6-11-17(3,5-2)16(18)20-14-9-7-8-13-10-12-19-15(13)14;1-2-3/h7-9H,4-6,10-12H2,1-3H3;2-3H,1H2/q+1;/p-1