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

Systemtic Name: 1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-methylpiperazin-4-ium Traditional Name: 1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]-4-methyl-piperazin-4-ium Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C24H26N4O/c1-26-11-13-27(14-12-26)17-21-18-28(16-19-7-3-2-4-8-19)25-24(21)23-15-20-9-5-6-10-22(20)29-23/h2-10,15,18H,11-14,16-17H2,1H3/p+1