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

Systemtic Name: [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-ethyl-(3-methoxypropyl)azanium Openeye Name: [(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethoxycarbonyl-ethyl-(3-methoxypropyl)ammonium CAS Name: [[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-ethoxycarbonyl-ethyl-(3-methoxypropyl)ammonium IUPAC Name: [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-ethoxycarbonyl-ethyl-(3-methoxypropyl)azanium Traditional Name: carbethoxy-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-ethyl-(3-methoxypropyl)ammonium Formula: C21H33N2O6S+ MolecularWeight: 441.56152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N2O6S/c1-7-23(13-10-14-26-6,20(25)27-8-2)30-22(5)19(24)28-17-12-9-11-16-15-21(3,4)29-18(16)17/h9,11-12H,7-8,10,13-15H2,1-6H3/q+1