2-[2-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one Openeye Name: 2-[2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one CAS Name: 2-[2-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]phenyl]-6-[2-(1-pyrazolyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one Traditional Name: 2-[2-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one Formula: C21H26N5O2+ MolecularWeight: 380.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)CCN4C=CC=N4)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2C3=NC(=O)C=C(N3)CCN4C=CC=N4)O

InChI

InChI=1S/C21H25N5O2/c27-18-6-3-10-25(15-18)14-16-5-1-2-7-19(16)21-23-17(13-20(28)24-21)8-12-26-11-4-9-22-26/h1-2,4-5,7,9,11,13,18,27H,3,6,8,10,12,14-15H2,(H,23,24,28)/p+1/t18-/m0/s1