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

Systemtic Name: [(3R)-1-[(2-azanylpyrimidin-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-1-[(2-aminopyrimidin-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-1-[(2-amino-5-pyrimidinyl)methyl]-3-phenethyl-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-1-[(2-aminopyrimidin-5-yl)methyl]-3-phenethylpiperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-1-[(2-aminopyrimidin-5-yl)methyl]-3-phenethyl-piperidin-1-ium-3-yl]methanol Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=C(N=C2)N)(CCC3=CC=CC=C3)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)CC2=CN=C(N=C2)N)(CCC3=CC=CC=C3)CO

InChI

InChI=1S/C19H26N4O/c20-18-21-11-17(12-22-18)13-23-10-4-8-19(14-23,15-24)9-7-16-5-2-1-3-6-16/h1-3,5-6,11-12,24H,4,7-10,13-15H2,(H2,20,21,22)/p+1/t19-/m0/s1