6-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one CAS Name: 6-[1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC(=O)N=CN2)CC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C2=CC(=O)N=CN2)CC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C19H21N5O/c25-19-12-17(21-14-22-19)15-6-10-23(11-7-15)13-16-4-3-9-24(16)18-5-1-2-8-20-18/h1-5,8-9,12,14-15H,6-7,10-11,13H2,(H,21,22,25)/p+1