[5-azanyl-1-(2-methylphenyl)pyrazol-4-yl]-[3-(1-oxidanidylpyridin-1-ium-3-yl)phenyl]methanone

Systemtic Name: [5-azanyl-1-(2-methylphenyl)pyrazol-4-yl]-[3-(1-oxidanidylpyridin-1-ium-3-yl)phenyl]methanone Openeye Name: [5-amino-1-(o-tolyl)pyrazol-4-yl]-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]methanone CAS Name: [5-amino-1-(2-methylphenyl)-4-pyrazolyl]-[3-(1-oxido-3-pyridin-1-iumyl)phenyl]methanone IUPAC Name: [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]methanone Traditional Name: [5-amino-1-(o-tolyl)pyrazol-4-yl]-[3-(1-oxidopyridin-1-ium-3-yl)phenyl]methanone Formula: C22H18N4O2 MolecularWeight: 370.40392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)C3=CC=CC(=C3)C4=C[N+](=CC=C4)[O-])N

Isomeric SMILES

CC1=CC=CC=C1N2C(=C(C=N2)C(=O)C3=CC=CC(=C3)C4=C[N+](=CC=C4)[O-])N

InChI

InChI=1S/C22H18N4O2/c1-15-6-2-3-10-20(15)26-22(23)19(13-24-26)21(27)17-8-4-7-16(12-17)18-9-5-11-25(28)14-18/h2-14H,23H2,1H3