[4-[(diethylazaniumyl)methyl]-3-ethoxycarbonyl-5-oxidanyl-1-benzofuran-2-yl]methylsulfanylmethyl-diethyl-azanium

Systemtic Name: [4-[(diethylazaniumyl)methyl]-3-ethoxycarbonyl-5-oxidanyl-1-benzofuran-2-yl]methylsulfanylmethyl-diethyl-azanium Openeye Name: [4-[(diethylammonio)methyl]-3-ethoxycarbonyl-5-hydroxy-benzofuran-2-yl]methylsulfanylmethyl-diethyl-ammonium CAS Name: [[4-[(diethylammonio)methyl]-3-ethoxycarbonyl-5-hydroxy-2-benzofuranyl]methylthio]methyl-diethylammonium IUPAC Name: [4-[(diethylazaniumyl)methyl]-3-ethoxycarbonyl-5-hydroxy-1-benzofuran-2-yl]methylsulfanylmethyl-diethylazanium Traditional Name: [[3-carbethoxy-4-[(diethylammonio)methyl]-5-hydroxy-benzofuran-2-yl]methylthio]methyl-diethyl-ammonium Formula: C22H36N2O4S+2 MolecularWeight: 424.59724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1C(=C(O2)CSC[NH+](CC)CC)C(=O)OCC)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1C(=C(O2)CSC[NH+](CC)CC)C(=O)OCC)O

InChI

InChI=1S/C22H34N2O4S/c1-6-23(7-2)13-16-17(25)11-12-18-20(16)21(22(26)27-10-5)19(28-18)14-29-15-24(8-3)9-4/h11-12,25H,6-10,13-15H2,1-5H3/p+2