ethyl 6-bromanyl-5-methoxy-2-methyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-methyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-4-hydroxy-5-methoxy-2-methyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 6-bromo-4-hydroxy-5-methoxy-2-methyl-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-hydroxy-5-methoxy-2-methyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-4-hydroxy-5-methoxy-2-methyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C19H27BrN2O5+2 MolecularWeight: 443.33208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2C[NH+]3CC[NH+](CC3)C)Br)OC)O)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2C[NH+]3CC[NH+](CC3)C)Br)OC)O)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/p+2