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

Systemtic Name: methyl 4-[4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]benzoate Openeye Name: methyl 4-[4-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-1-piperazin-4-iumyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]benzoic acid methyl ester Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H24N4O3/c1-30-24(29)17-6-8-20(9-7-17)28-12-10-27(11-13-28)16-19-15-25-26-23(19)22-14-18-4-2-3-5-21(18)31-22/h2-9,14-15H,10-13,16H2,1H3,(H,25,26)/p+1