[(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-3-(3-phenylpropyl)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-3-(3-phenylpropyl)-1-(4-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=CC=NC=C2)(CCCC3=CC=CC=C3)CO

Isomeric SMILES

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

InChI

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