ethyl 4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C19H22N4O3/c1-2-25-19(24)23-9-7-22(8-10-23)13-15-12-20-21-18(15)17-11-14-5-3-4-6-16(14)26-17/h3-6,11-12H,2,7-10,13H2,1H3,(H,20,21)/p+1