6-[1-[[1-(5-chloranylpyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[[1-(5-chloranylpyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one CAS Name: 6-[1-[[1-(5-chloro-2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-[[1-(5-chloropyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Formula: C19H21ClN5O+ MolecularWeight: 370.85594

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC(=O)N=CN2)CC3=CC=CN3C4=NC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1C2=CC(=O)N=CN2)CC3=CC=CN3C4=NC=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN5O/c20-15-3-4-18(21-11-15)25-7-1-2-16(25)12-24-8-5-14(6-9-24)17-10-19(26)23-13-22-17/h1-4,7,10-11,13-14H,5-6,8-9,12H2,(H,22,23,26)/p+1