butyl-cyano-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethyl-azanium

Systemtic Name: butyl-cyano-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethyl-azanium Openeye Name: butyl-cyano-[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethyl-ammonium CAS Name: butyl-cyano-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-ethylammonium IUPAC Name: butyl-cyano-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-ethylazanium Traditional Name: butyl-cyano-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-ethyl-ammonium Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CC)(C#N)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

Isomeric SMILES

CCCC[N+](CC)(C#N)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

InChI

InChI=1S/C19H28N3O3S/c1-6-8-12-22(7-2,14-20)26-21(5)18(23)24-16-11-9-10-15-13-19(3,4)25-17(15)16/h9-11H,6-8,12-13H2,1-5H3/q+1