6-bromanyl-3-ethoxycarbonyl-5-methoxy-2-methyl-7-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-4-olate

Systemtic Name: 6-bromanyl-3-ethoxycarbonyl-5-methoxy-2-methyl-7-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-4-olate Openeye Name: 6-bromo-3-ethoxycarbonyl-5-methoxy-2-methyl-7-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-4-olate CAS Name: 6-bromo-3-ethoxycarbonyl-5-methoxy-2-methyl-7-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-benzofuranolate IUPAC Name: 6-bromo-3-ethoxycarbonyl-5-methoxy-2-methyl-7-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-4-olate Traditional Name: 6-bromo-3-carbethoxy-5-methoxy-2-methyl-7-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-4-olate Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C(=C(C(=C12)[O-])OC)Br)CN3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C(=C(C(=C12)[O-])OC)Br)CN3CC[NH+](CC3)C)C

InChI

InChI=1S/C19H25BrN2O5/c1-5-26-19(24)13-11(2)27-17-12(10-22-8-6-21(3)7-9-22)15(20)18(25-4)16(23)14(13)17/h23H,5-10H2,1-4H3