[(3S)-3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-(2-phenoxyethyl)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-3-(2-phenoxyethyl)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-(2-phenoxyethyl)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanol Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=CC=C2)(CCOC3=CC=CC=C3)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CN=CC=C2)(CCOC3=CC=CC=C3)CO

InChI

InChI=1S/C20H26N2O2/c23-17-20(10-13-24-19-7-2-1-3-8-19)9-5-12-22(16-20)15-18-6-4-11-21-14-18/h1-4,6-8,11,14,23H,5,9-10,12-13,15-17H2/p+1/t20-/m0/s1