[(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-3-phenethyl-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-3-phenethylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+]2CCCC(C2)(CCC3=CC=CC=C3)CO

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+]2CCC[C@@](C2)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C22H33N3O/c1-18(2)13-20-14-21(24-23-20)15-25-12-6-10-22(16-25,17-26)11-9-19-7-4-3-5-8-19/h3-5,7-8,14,18,26H,6,9-13,15-17H2,1-2H3,(H,23,24)/p+1/t22-/m0/s1