2-[[4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-[[4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[4-[4-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=CC=C4O

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)CC3=CC=CC=C3)CC4=CC=CC=C4O

InChI

InChI=1S/C22H25N3O/c26-21-9-5-4-8-19(21)16-25-12-10-18(11-13-25)22-20(15-23-24-22)14-17-6-2-1-3-7-17/h1-9,15,18,26H,10-14,16H2,(H,23,24)/p+1