[(3S)-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)C4=CC=CC=C4)CO

InChI

InChI=1S/C22H25N3O/c26-16-17-5-4-12-25(14-17)15-21-13-23-24-22(21)20-10-8-19(9-11-20)18-6-2-1-3-7-18/h1-3,6-11,13,17,26H,4-5,12,14-16H2,(H,23,24)/p+1/t17-/m0/s1