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

Systemtic Name: [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethyl-methoxycarbonyl-(3-methoxypropyl)azanium Openeye Name: [(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-ethyl-methoxycarbonyl-(3-methoxypropyl)ammonium CAS Name: [[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-ethyl-methoxycarbonyl-(3-methoxypropyl)ammonium IUPAC Name: [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-ethyl-methoxycarbonyl-(3-methoxypropyl)azanium Traditional Name: carbomethoxy-[[(2,2-dimethylcoumaran-7-yl)oxycarbonyl-methyl-amino]thio]-ethyl-(3-methoxypropyl)ammonium Formula: C20H31N2O6S+ MolecularWeight: 427.53494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N2O6S/c1-7-22(19(24)26-6,12-9-13-25-5)29-21(4)18(23)27-16-11-8-10-15-14-20(2,3)28-17(15)16/h8,10-11H,7,9,12-14H2,1-6H3/q+1