1,5-dimethyl-2-phenyl-4-(pyridin-4-ylmethylideneamino)-4H-pyrazol-1-ium-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(pyridin-4-ylmethylideneamino)-4H-pyrazol-1-ium-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(4-pyridylmethyleneamino)-4H-pyrazol-1-ium-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(pyridin-4-ylmethylideneamino)-4H-pyrazol-1-ium-3-one IUPAC Name: 1,5-dimethyl-2-phenyl-4-(pyridin-4-ylmethylideneamino)-4H-pyrazol-1-ium-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(4-pyridylmethyleneamino)-2-pyrazolin-1-ium-3-one Formula: C17H17N4O+ MolecularWeight: 293.34308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N(C(=O)C1N=CC2=CC=NC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=[N+](N(C(=O)C1N=CC2=CC=NC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C17H17N4O/c1-13-16(19-12-14-8-10-18-11-9-14)17(22)21(20(13)2)15-6-4-3-5-7-15/h3-12,16H,1-2H3/q+1