ethyl 3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]benzofuran-2-carboxylate CAS Name: 3-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]coumarilic acid ethyl ester Formula: C18H25N3O4+2 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C18H23N3O4/c1-3-24-18(23)17-16(13-6-4-5-7-14(13)25-17)19-15(22)12-21-10-8-20(2)9-11-21/h4-7H,3,8-12H2,1-2H3,(H,19,22)/p+2