2-[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-pyridin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[3-[[(3S)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]phenyl]-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]phenyl]-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1CC[NH+](C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=NC=C4

Isomeric SMILES

COC[C@H]1CC[NH+](C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C22H24N4O2/c1-28-15-17-7-10-26(14-17)13-16-3-2-4-19(11-16)22-24-20(12-21(27)25-22)18-5-8-23-9-6-18/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,24,25,27)/p+1/t17-/m0/s1