[5-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]furan-2-yl]methanol

Systemtic Name: [5-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]furan-2-yl]methanol Openeye Name: [5-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-2-furyl]methanol CAS Name: [5-[[4-(4-phenethyl-1H-pyrazol-5-yl)-1-piperidin-1-iumyl]methyl]-2-furanyl]methanol IUPAC Name: [5-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]furan-2-yl]methanol Traditional Name: [5-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]-2-furyl]methanol Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=C(C=NN2)CCC3=CC=CC=C3)CC4=CC=C(O4)CO

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)CCC3=CC=CC=C3)CC4=CC=C(O4)CO

InChI

InChI=1S/C22H27N3O2/c26-16-21-9-8-20(27-21)15-25-12-10-18(11-13-25)22-19(14-23-24-22)7-6-17-4-2-1-3-5-17/h1-5,8-9,14,18,26H,6-7,10-13,15-16H2,(H,23,24)/p+1