ethyl 5-bromanyl-3-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-acetylpiperazin-1-ium-1-yl)methyl]-5-bromo-benzofuran-2-carboxylate CAS Name: 3-[(4-acetyl-1-piperazin-1-iumyl)methyl]-5-bromo-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-acetylpiperazin-1-ium-1-yl)methyl]-5-bromo-1-benzofuran-2-carboxylate Traditional Name: 3-[(4-acetylpiperazin-1-ium-1-yl)methyl]-5-bromo-coumarilic acid ethyl ester Formula: C18H22BrN2O4+ MolecularWeight: 410.28228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H21BrN2O4/c1-3-24-18(23)17-15(14-10-13(19)4-5-16(14)25-17)11-20-6-8-21(9-7-20)12(2)22/h4-5,10H,3,6-9,11H2,1-2H3/p+1