(4E)-4-[(3-hydroxyphenyl)hydrazinylidene]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrazol-3-one

Systemtic Name: (4E)-4-[(3-hydroxyphenyl)hydrazinylidene]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrazol-3-one Openeye Name: (4E)-4-[(3-hydroxyphenyl)hydrazono]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrazol-3-one CAS Name: (4E)-4-[(3-hydroxyphenyl)hydrazinylidene]-5-methyl-2-(1-piperidin-1-iumylmethyl)-3-pyrazolone IUPAC Name: (4E)-4-[(3-hydroxyphenyl)hydrazinylidene]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)pyrazol-3-one Traditional Name: (4E)-4-[(3-hydroxyphenyl)hydrazono]-5-methyl-2-(piperidin-1-ium-1-ylmethyl)-2-pyrazolin-3-one Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2/c1-12-15(18-17-13-6-5-7-14(22)10-13)16(23)21(19-12)11-20-8-3-2-4-9-20/h5-7,10,17,22H,2-4,8-9,11H2,1H3/p+1/b18-15+