[(3R)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-[[2-(1-naphthalenyl)-5-pyrimidinyl]methyl]-3-phenethyl-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-3-phenethylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-[[2-(1-naphthyl)pyrimidin-5-yl]methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Formula: C29H32N3O+ MolecularWeight: 438.58388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=C(N=C2)C3=CC=CC4=CC=CC=C43)(CCC5=CC=CC=C5)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CN=C(N=C2)C3=CC=CC4=CC=CC=C43)(CCC5=CC=CC=C5)CO

InChI

InChI=1S/C29H31N3O/c33-22-29(16-14-23-8-2-1-3-9-23)15-7-17-32(21-29)20-24-18-30-28(31-19-24)27-13-6-11-25-10-4-5-12-26(25)27/h1-6,8-13,18-19,33H,7,14-17,20-22H2/p+1/t29-/m0/s1