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

Systemtic Name: [4-chloranyl-3-[2-(diethylazaniumyl)ethoxycarbonyl]-2-methyl-5-oxidanyl-1-benzofuran-6-yl]methyl-dimethyl-azanium dichloride Openeye Name: [4-chloro-3-[2-(diethylammonio)ethoxycarbonyl]-5-hydroxy-2-methyl-benzofuran-6-yl]methyl-dimethyl-ammonium dichloride CAS Name: [4-chloro-3-[2-(diethylammonio)ethoxy-oxomethyl]-5-hydroxy-2-methyl-6-benzofuranyl]methyl-dimethylammonium dichloride IUPAC Name: [4-chloro-3-[2-(diethylazaniumyl)ethoxycarbonyl]-5-hydroxy-2-methyl-1-benzofuran-6-yl]methyl-dimethylazanium dichloride Traditional Name: [4-chloro-3-[2-(diethylammonio)ethoxycarbonyl]-5-hydroxy-2-methyl-benzofuran-6-yl]methyl-dimethyl-ammonium dichloride Formula: C19H29Cl3N2O4 MolecularWeight: 455.80356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O4.2ClH/c1-6-22(7-2)8-9-25-19(24)15-12(3)26-14-10-13(11-21(4)5)18(23)17(20)16(14)15;;/h10,23H,6-9,11H2,1-5H3;2*1H