[(3S)-3-(phenylmethyl)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-3-(phenylmethyl)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-benzyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-3-(phenylmethyl)-1-[[4-(2-pyrimidinyloxy)phenyl]methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-benzyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-benzyl-1-[4-(2-pyrimidyloxy)benzyl]piperidin-1-ium-3-yl]methanol Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)OC3=NC=CC=N3)(CC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CC=C(C=C2)OC3=NC=CC=N3)(CC4=CC=CC=C4)CO

InChI

InChI=1S/C24H27N3O2/c28-19-24(16-20-6-2-1-3-7-20)12-4-15-27(18-24)17-21-8-10-22(11-9-21)29-23-25-13-5-14-26-23/h1-3,5-11,13-14,28H,4,12,15-19H2/p+1/t24-/m0/s1