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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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