2,3-dihydro-1-benzofuran-7-yloxycarbonyl-dimethyl-(2-methylpropylsulfanyl)azanium

Systemtic Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl-dimethyl-(2-methylpropylsulfanyl)azanium Openeye Name: 2,3-dihydrobenzofuran-7-yloxycarbonyl-isobutylsulfanyl-dimethyl-ammonium CAS Name: [2,3-dihydrobenzofuran-7-yloxy(oxo)methyl]-dimethyl-(2-methylpropylthio)ammonium IUPAC Name: 2,3-dihydro-1-benzofuran-7-yloxycarbonyl-dimethyl-(2-methylpropylsulfanyl)azanium Traditional Name: coumaran-7-yloxycarbonyl-(isobutylthio)-dimethyl-ammonium Formula: C15H22NO3S+ MolecularWeight: 296.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS[N+](C)(C)C(=O)OC1=CC=CC2=C1OCC2

Isomeric SMILES

CC(C)CS[N+](C)(C)C(=O)OC1=CC=CC2=C1OCC2

InChI

InChI=1S/C15H22NO3S/c1-11(2)10-20-16(3,4)15(17)19-13-7-5-6-12-8-9-18-14(12)13/h5-7,11H,8-10H2,1-4H3/q+1