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

Systemtic Name: butyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-ethyl-azanium Openeye Name: butyl-[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-ethyl-ammonium CAS Name: butyl-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-ethoxycarbonyl-ethylammonium IUPAC Name: butyl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-ethoxycarbonyl-ethylazanium Traditional Name: butyl-carbethoxy-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-ethyl-ammonium Formula: C21H33N2O5S+ MolecularWeight: 425.56212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N2O5S/c1-7-10-14-23(8-2,20(25)26-9-3)29-22(6)19(24)27-17-13-11-12-16-15-21(4,5)28-18(16)17/h11-13H,7-10,14-15H2,1-6H3/q+1