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

Systemtic Name: 2-(1-methylindazol-3-yl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Openeye Name: 2-(1-methylindazol-3-yl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one CAS Name: 2-(1-methyl-3-indazolyl)-6-[(3S)-3-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(1-methylindazol-3-yl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Traditional Name: 2-(1-methylindazol-3-yl)-6-[(3S)-piperidin-1-ium-3-yl]-1H-pyrimidin-4-one Formula: C17H20N5O+ MolecularWeight: 310.3736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=N1)C3=NC(=O)C=C(N3)C4CCC[NH2+]C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=N1)C3=NC(=O)C=C(N3)[C@H]4CCC[NH2+]C4

InChI

InChI=1S/C17H19N5O/c1-22-14-7-3-2-6-12(14)16(21-22)17-19-13(9-15(23)20-17)11-5-4-8-18-10-11/h2-3,6-7,9,11,18H,4-5,8,10H2,1H3,(H,19,20,23)/p+1/t11-/m0/s1