N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C3=C[N+](=CC=C3)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C3=C[N+](=CC=C3)[O-])C

InChI

InChI=1S/C18H18N4O2/c1-12-6-8-16(9-7-12)22-14(3)17(13(2)20-22)19-18(23)15-5-4-10-21(24)11-15/h4-11H,1-3H3,(H,19,23)