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

Systemtic Name: [3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(2-hydroxyethyl)azanium Openeye Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-(2-hydroxyethyl)ammonium CAS Name: [3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl-(2-hydroxyethyl)ammonium IUPAC Name: [3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl-(2-hydroxyethyl)azanium Traditional Name: [3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl-(2-hydroxyethyl)ammonium Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C[NH2+]CCO

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C[NH2+]CCO

InChI

InChI=1S/C21H21N3O2/c25-11-10-22-13-18-15-24(14-16-6-2-1-3-7-16)23-21(18)20-12-17-8-4-5-9-19(17)26-20/h1-9,12,15,22,25H,10-11,13-14H2/p+1