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

Systemtic Name: ethyl 5-bromanyl-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]coumarilic acid ethyl ester Formula: C18H23BrN3O4+ MolecularWeight: 425.29692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O4/c1-3-25-18(24)17-16(13-10-12(19)4-5-14(13)26-17)20-15(23)11-22-8-6-21(2)7-9-22/h4-5,10H,3,6-9,11H2,1-2H3,(H,20,23)/p+1