[(3R)-3-(3-phenylpropyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-3-(3-phenylpropyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-3-(3-phenylpropyl)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-3-(3-phenylpropyl)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-3-(3-phenylpropyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-3-(3-phenylpropyl)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanol Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=CC=C2)(CCCC3=CC=CC=C3)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CN=CC=C2)(CCCC3=CC=CC=C3)CO

InChI

InChI=1S/C21H28N2O/c24-18-21(11-4-9-19-7-2-1-3-8-19)12-6-14-23(17-21)16-20-10-5-13-22-15-20/h1-3,5,7-8,10,13,15,24H,4,6,9,11-12,14,16-18H2/p+1/t21-/m1/s1