1-[[2-(2-azanylpyrimidin-5-yl)phenyl]methyl]piperidin-1-ium-4-one

Systemtic Name: 1-[[2-(2-azanylpyrimidin-5-yl)phenyl]methyl]piperidin-1-ium-4-one Openeye Name: 1-[[2-(2-aminopyrimidin-5-yl)phenyl]methyl]piperidin-1-ium-4-one CAS Name: 1-[[2-(2-amino-5-pyrimidinyl)phenyl]methyl]-4-piperidin-1-iumone IUPAC Name: 1-[[2-(2-aminopyrimidin-5-yl)phenyl]methyl]piperidin-1-ium-4-one Traditional Name: 1-[2-(2-aminopyrimidin-5-yl)benzyl]piperidin-1-ium-4-one Formula: C16H19N4O+ MolecularWeight: 283.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CC2=CC=CC=C2C3=CN=C(N=C3)N

Isomeric SMILES

C1C[NH+](CCC1=O)CC2=CC=CC=C2C3=CN=C(N=C3)N

InChI

InChI=1S/C16H18N4O/c17-16-18-9-13(10-19-16)15-4-2-1-3-12(15)11-20-7-5-14(21)6-8-20/h1-4,9-10H,5-8,11H2,(H2,17,18,19)/p+1