4-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C23H23N4O2+ MolecularWeight: 387.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C23H22N4O2/c28-22-16-26(11-10-24-22)14-19-15-27(13-17-6-2-1-3-7-17)25-23(19)21-12-18-8-4-5-9-20(18)29-21/h1-9,12,15H,10-11,13-14,16H2,(H,24,28)/p+1