2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

Systemtic Name: 2-oxidanylidene-6-(piperidin-1-ium-1-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide Openeye Name: 2-oxo-6-(piperidin-1-ium-1-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide CAS Name: 2-oxo-6-(1-piperidin-1-iumylmethyl)-N-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1H-pyridine-3-carboxamide IUPAC Name: 2-oxo-6-(piperidin-1-ium-1-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide Traditional Name: 2-keto-6-(piperidin-1-ium-1-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC(=O)C2=CC=C(NC2=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC(=O)C2=CC=C(NC2=O)C[NH+]3CCCCC3

InChI

InChI=1S/C19H27N5O2/c1-13-17(14(2)23(3)22-13)11-20-18(25)16-8-7-15(21-19(16)26)12-24-9-5-4-6-10-24/h7-8H,4-6,9-12H2,1-3H3,(H,20,25)(H,21,26)/p+1