2-[4-[[(3R)-3-oxidanylpyrrolidin-1-ium-1-yl]methyl]phenyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[[(3R)-3-oxidanylpyrrolidin-1-ium-1-yl]methyl]phenyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[4-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one CAS Name: 2-[4-[[(3R)-3-hydroxy-1-pyrrolidin-1-iumyl]methyl]phenyl]-6-(4-piperidin-1-iumyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[4-[[(3R)-3-hydroxypyrrolidin-1-ium-1-yl]methyl]phenyl]-6-piperidin-1-ium-4-yl-1H-pyrimidin-4-one Formula: C20H28N4O2+2 MolecularWeight: 356.46192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=CC(=O)N=C(N2)C3=CC=C(C=C3)C[NH+]4CCC(C4)O

Isomeric SMILES

C1C[NH+](C[C@@H]1O)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4CC[NH2+]CC4

InChI

InChI=1S/C20H26N4O2/c25-17-7-10-24(13-17)12-14-1-3-16(4-2-14)20-22-18(11-19(26)23-20)15-5-8-21-9-6-15/h1-4,11,15,17,21,25H,5-10,12-13H2,(H,22,23,26)/p+2/t17-/m1/s1