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

Systemtic Name: (6-bromanyl-3-ethoxycarbonyl-5-methoxy-4-oxidanyl-1-benzofuran-2-yl)methyl-dimethyl-azanium Openeye Name: (6-bromo-3-ethoxycarbonyl-4-hydroxy-5-methoxy-benzofuran-2-yl)methyl-dimethyl-ammonium CAS Name: (6-bromo-3-ethoxycarbonyl-4-hydroxy-5-methoxy-2-benzofuranyl)methyl-dimethylammonium IUPAC Name: (6-bromo-3-ethoxycarbonyl-4-hydroxy-5-methoxy-1-benzofuran-2-yl)methyl-dimethylazanium Traditional Name: (6-bromo-3-carbethoxy-4-hydroxy-5-methoxy-benzofuran-2-yl)methyl-dimethyl-ammonium Formula: C15H19BrNO5+ MolecularWeight: 373.21906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)O)OC)Br)C[NH+](C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)O)OC)Br)C[NH+](C)C

InChI

InChI=1S/C15H18BrNO5/c1-5-21-15(19)12-10(7-17(2)3)22-9-6-8(16)14(20-4)13(18)11(9)12/h6,18H,5,7H2,1-4H3/p+1