N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-N-methyl-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H19ClN4O2 MolecularWeight: 418.87556

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C23H19ClN4O2/c1-26(23(29)18-6-5-13-27(30)15-18)14-19-16-28(21-7-3-2-4-8-21)25-22(19)17-9-11-20(24)12-10-17/h2-13,15-16H,14H2,1H3