ethyl 2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-benzofuran-3-carboxylate CAS Name: 2-[[4-(cyanomethyl)-1-piperazin-1-iumyl]methyl]-5-methoxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-1-benzofuran-3-carboxylate Traditional Name: 2-[[4-(cyanomethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-benzofuran-3-carboxylic acid ethyl ester Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH+]3CCN(CC3)CC#N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC)C[NH+]3CCN(CC3)CC#N

InChI

InChI=1S/C19H23N3O4/c1-3-25-19(23)18-15-12-14(24-2)4-5-16(15)26-17(18)13-22-10-8-21(7-6-20)9-11-22/h4-5,12H,3,7-11,13H2,1-2H3/p+1