(4E)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(pyridin-3-ylhydrazinylidene)pyrazol-3-one

Systemtic Name: (4E)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(pyridin-3-ylhydrazinylidene)pyrazol-3-one Openeye Name: (4E)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(3-pyridylhydrazono)pyrazol-3-one CAS Name: (4E)-5-methyl-2-(1-piperidin-1-iumylmethyl)-4-(3-pyridinylhydrazinylidene)-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(pyridin-3-ylhydrazinylidene)pyrazol-3-one Traditional Name: (4E)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-4-(3-pyridylhydrazono)-2-pyrazolin-3-one Formula: C15H21N6O+ MolecularWeight: 301.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CN=CC=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CN=CC=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C15H20N6O/c1-12-14(18-17-13-6-5-7-16-10-13)15(22)21(19-12)11-20-8-3-2-4-9-20/h5-7,10,17H,2-4,8-9,11H2,1H3/p+1/b18-14+