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

Systemtic Name: [1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]methanol Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CO)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1CO)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N3O2/c29-18-20-10-12-27(13-11-20)16-22-17-28(15-19-6-2-1-3-7-19)26-25(22)24-14-21-8-4-5-9-23(21)30-24/h1-9,14,17,20,29H,10-13,15-16,18H2/p+1