6-[1-[[3-(phenylmethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[[3-(phenylmethyl)imidazol-4-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-[(3-benzylimidazol-4-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one CAS Name: 6-[1-[[3-(phenylmethyl)-4-imidazolyl]methyl]-4-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-[(3-benzylimidazol-4-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-[(3-benzylimidazol-4-yl)methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC(=O)N=CN2)CC3=CN=CN3CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=CC(=O)N=CN2)CC3=CN=CN3CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5O/c26-20-10-19(22-14-23-20)17-6-8-24(9-7-17)13-18-11-21-15-25(18)12-16-4-2-1-3-5-16/h1-5,10-11,14-15,17H,6-9,12-13H2,(H,22,23,26)/p+1