2-(2-methyl-1,3-thiazol-4-yl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-(2-methyl-1,3-thiazol-4-yl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Openeye Name: 2-(2-methylthiazol-4-yl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one CAS Name: 2-(2-methyl-4-thiazolyl)-6-[(3S)-3-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(2-methyl-1,3-thiazol-4-yl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Traditional Name: 2-(2-methylthiazol-4-yl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Formula: C13H17N4OS+ MolecularWeight: 277.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=NC(=O)C=C(N2)C3CCC[NH2+]C3

Isomeric SMILES

CC1=NC(=CS1)C2=NC(=O)C=C(N2)[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C13H16N4OS/c1-8-15-11(7-19-8)13-16-10(5-12(18)17-13)9-3-2-4-14-6-9/h5,7,9,14H,2-4,6H2,1H3,(H,16,17,18)/p+1/t9-/m0/s1