[2-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-oxidanyl-4-(phenylsulfanylmethyl)-1-benzofuran-6-yl]methyl-dimethyl-azanium dichloride

Systemtic Name: [2-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-oxidanyl-4-(phenylsulfanylmethyl)-1-benzofuran-6-yl]methyl-dimethyl-azanium dichloride Openeye Name: [2-[(dimethylammonio)methyl]-3-ethoxycarbonyl-5-hydroxy-4-(phenylsulfanylmethyl)benzofuran-6-yl]methyl-dimethyl-ammonium dichloride CAS Name: [2-[(dimethylammonio)methyl]-3-ethoxycarbonyl-5-hydroxy-4-[(phenylthio)methyl]-6-benzofuranyl]methyl-dimethylammonium dichloride IUPAC Name: [2-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-5-hydroxy-4-(phenylsulfanylmethyl)-1-benzofuran-6-yl]methyl-dimethylazanium dichloride Traditional Name: [3-carbethoxy-2-[(dimethylammonio)methyl]-5-hydroxy-4-[(phenylthio)methyl]benzofuran-6-yl]methyl-dimethyl-ammonium dichloride Formula: C24H32Cl2N2O4S MolecularWeight: 515.49288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)C[NH+](C)C)O)CSC3=CC=CC=C3)C[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)C[NH+](C)C)O)CSC3=CC=CC=C3)C[NH+](C)C.[Cl-].[Cl-]

InChI

InChI=1S/C24H30N2O4S.2ClH/c1-6-29-24(28)22-20(14-26(4)5)30-19-12-16(13-25(2)3)23(27)18(21(19)22)15-31-17-10-8-7-9-11-17;;/h7-12,27H,6,13-15H2,1-5H3;2*1H