5-methyl-2-piperidin-1-ium-4-yl-4H-pyrazol-3-one

Systemtic Name: 5-methyl-2-piperidin-1-ium-4-yl-4H-pyrazol-3-one Openeye Name: 5-methyl-2-piperidin-1-ium-4-yl-4H-pyrazol-3-one CAS Name: 5-methyl-2-(4-piperidin-1-iumyl)-4H-pyrazol-3-one IUPAC Name: 5-methyl-2-piperidin-1-ium-4-yl-4H-pyrazol-3-one Traditional Name: 5-methyl-2-piperidin-1-ium-4-yl-2-pyrazolin-3-one Formula: C9H16N3O+ MolecularWeight: 182.24284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2CC[NH2+]CC2

Isomeric SMILES

CC1=NN(C(=O)C1)C2CC[NH2+]CC2

InChI

InChI=1S/C9H15N3O/c1-7-6-9(13)12(11-7)8-2-4-10-5-3-8/h8,10H,2-6H2,1H3/p+1