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

Systemtic Name: 2-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[4-(4-phenethyl-1H-pyrazol-5-yl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=C(C=NN2)CCC3=CC=CC=C3)CC4=CC=CC=C4O

Isomeric SMILES

C1C[NH+](CCC1C2=C(C=NN2)CCC3=CC=CC=C3)CC4=CC=CC=C4O

InChI

InChI=1S/C23H27N3O/c27-22-9-5-4-8-21(22)17-26-14-12-19(13-15-26)23-20(16-24-25-23)11-10-18-6-2-1-3-7-18/h1-9,16,19,27H,10-15,17H2,(H,24,25)/p+1