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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C19H25BrN2O5+2 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C)Br)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C)Br)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C19H23BrN2O5/c1-4-25-19(24)18-13-9-16(26-12(2)23)14(20)10-15(13)27-17(18)11-22-7-5-21(3)6-8-22/h9-10H,4-8,11H2,1-3H3/p+2