[(3R)-3-(3-phenylpropyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-3-(3-phenylpropyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-3-(3-phenylpropyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-3-(3-phenylpropyl)-1-[(1-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-3-(3-phenylpropyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-3-(3-phenylpropyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanol Formula: C25H32N3O+ MolecularWeight: 390.54108

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN(N=C2)C3=CC=CC=C3)(CCCC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CN(N=C2)C3=CC=CC=C3)(CCCC4=CC=CC=C4)CO

InChI

InChI=1S/C25H31N3O/c29-21-25(14-7-11-22-9-3-1-4-10-22)15-8-16-27(20-25)18-23-17-26-28(19-23)24-12-5-2-6-13-24/h1-6,9-10,12-13,17,19,29H,7-8,11,14-16,18,20-21H2/p+1/t25-/m1/s1