2-(1-methylimidazol-4-yl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-(1-methylimidazol-4-yl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Openeye Name: 2-(1-methylimidazol-4-yl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one CAS Name: 2-(1-methyl-4-imidazolyl)-6-[(3S)-1-methyl-3-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(1-methylimidazol-4-yl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Traditional Name: 2-(1-methylimidazol-4-yl)-6-[(3S)-1-methylpiperidin-1-ium-3-yl]-1H-pyrimidin-4-one Formula: C14H20N5O+ MolecularWeight: 274.3415

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C2=CC(=O)N=C(N2)C3=CN(C=N3)C

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C2=CC(=O)N=C(N2)C3=CN(C=N3)C

InChI

InChI=1S/C14H19N5O/c1-18-5-3-4-10(7-18)11-6-13(20)17-14(16-11)12-8-19(2)9-15-12/h6,8-10H,3-5,7H2,1-2H3,(H,16,17,20)/p+1/t10-/m0/s1