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

Systemtic Name: (4-chloranyl-3-ethoxycarbonyl-2-methyl-5-oxidanyl-1-benzofuran-6-yl)methyl-dimethyl-azanium Openeye Name: (4-chloro-3-ethoxycarbonyl-5-hydroxy-2-methyl-benzofuran-6-yl)methyl-dimethyl-ammonium CAS Name: (4-chloro-3-ethoxycarbonyl-5-hydroxy-2-methyl-6-benzofuranyl)methyl-dimethylammonium IUPAC Name: (4-chloro-3-ethoxycarbonyl-5-hydroxy-2-methyl-1-benzofuran-6-yl)methyl-dimethylazanium Traditional Name: (3-carbethoxy-4-chloro-5-hydroxy-2-methyl-benzofuran-6-yl)methyl-dimethyl-ammonium Formula: C15H19ClNO4+ MolecularWeight: 312.76866

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClNO4/c1-5-20-15(19)11-8(2)21-10-6-9(7-17(3)4)14(18)13(16)12(10)11/h6,18H,5,7H2,1-4H3/p+1