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

Systemtic Name: butoxycarbonyl-[butoxycarbonyl(methyl)amino]sulfanyl-(2,2-dimethyl-3H-1-benzofuran-7-yl)-methyl-azanium Openeye Name: butoxycarbonyl-[butoxycarbonyl(methyl)amino]sulfanyl-(2,2-dimethyl-3H-benzofuran-7-yl)-methyl-ammonium CAS Name: [butoxy(oxo)methyl]-[[[butoxy(oxo)methyl]-methylamino]thio]-(2,2-dimethyl-3H-benzofuran-7-yl)-methylammonium IUPAC Name: butoxycarbonyl-[butoxycarbonyl(methyl)amino]sulfanyl-(2,2-dimethyl-3H-1-benzofuran-7-yl)-methylazanium Traditional Name: butoxycarbonyl-[[butoxycarbonyl(methyl)amino]thio]-(2,2-dimethylcoumaran-7-yl)-methyl-ammonium Formula: C22H35N2O5S+ MolecularWeight: 439.5887

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(C)S[N+](C)(C1=CC=CC2=C1OC(C2)(C)C)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)N(C)S[N+](C)(C1=CC=CC2=C1OC(C2)(C)C)C(=O)OCCCC

InChI

InChI=1S/C22H35N2O5S/c1-7-9-14-27-20(25)23(5)30-24(6,21(26)28-15-10-8-2)18-13-11-12-17-16-22(3,4)29-19(17)18/h11-13H,7-10,14-16H2,1-6H3/q+1