N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-piperidine-2-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-piperidine-2-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-2-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-2-piperidinecarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidine-2-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)pipecolinamide Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCCCN3C(=O)C4=C[N+](=CC=C4)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCCCN3C(=O)C4=C[N+](=CC=C4)[O-])C

InChI

InChI=1S/C23H25N5O3/c1-16-14-17(2)28(25-16)20-10-8-19(9-11-20)24-22(29)21-7-3-4-13-27(21)23(30)18-6-5-12-26(31)15-18/h5-6,8-12,14-15,21H,3-4,7,13H2,1-2H3,(H,24,29)