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

Systemtic Name: butyl-cyano-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-methyl-azanium Openeye Name: butyl-cyano-[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-methyl-ammonium CAS Name: butyl-cyano-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-methylammonium IUPAC Name: butyl-cyano-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-methylazanium Traditional Name: butyl-cyano-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-methyl-ammonium Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N3O3S/c1-6-7-11-21(5,13-19)25-20(4)17(22)23-15-10-8-9-14-12-18(2,3)24-16(14)15/h8-10H,6-7,11-12H2,1-5H3/q+1