[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(2-hydroxyethyl)-propan-2-yl-azanium

Systemtic Name: [3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(2-hydroxyethyl)-propan-2-yl-azanium Openeye Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-(2-hydroxyethyl)-isopropyl-ammonium CAS Name: [3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-(2-hydroxyethyl)-propan-2-ylammonium IUPAC Name: [3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl-(2-hydroxyethyl)-propan-2-ylazanium Traditional Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-(2-hydroxyethyl)-isopropyl-ammonium Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCO)CC1=CN(N=C1C2=CC3=CC=CC=C3O2)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+](CCO)CC1=CN(N=C1C2=CC3=CC=CC=C3O2)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-18(2)26(12-13-28)16-21-17-27(15-19-8-4-3-5-9-19)25-24(21)23-14-20-10-6-7-11-22(20)29-23/h3-11,14,17-18,28H,12-13,15-16H2,1-2H3/p+1