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

Systemtic Name: [4-chloranyl-3-ethoxycarbonyl-5-oxidanyl-2-(phenylsulfanylmethyl)-1-benzofuran-6-yl]methyl-dimethyl-azanium Openeye Name: [4-chloro-3-ethoxycarbonyl-5-hydroxy-2-(phenylsulfanylmethyl)benzofuran-6-yl]methyl-dimethyl-ammonium CAS Name: [4-chloro-3-ethoxycarbonyl-5-hydroxy-2-[(phenylthio)methyl]-6-benzofuranyl]methyl-dimethylammonium IUPAC Name: [4-chloro-3-ethoxycarbonyl-5-hydroxy-2-(phenylsulfanylmethyl)-1-benzofuran-6-yl]methyl-dimethylazanium Traditional Name: [3-carbethoxy-4-chloro-5-hydroxy-2-[(phenylthio)methyl]benzofuran-6-yl]methyl-dimethyl-ammonium Formula: C21H23ClNO4S+ MolecularWeight: 420.92962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO4S/c1-4-26-21(25)18-16(12-28-14-8-6-5-7-9-14)27-15-10-13(11-23(2)3)20(24)19(22)17(15)18/h5-10,24H,4,11-12H2,1-3H3/p+1