1,5-dimethyl-2-phenyl-4-[(4-propan-2-ylphenyl)methylideneamino]-4H-pyrazol-1-ium-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(4-propan-2-ylphenyl)methylideneamino]-4H-pyrazol-1-ium-3-one Openeye Name: 4-[(4-isopropylphenyl)methyleneamino]-1,5-dimethyl-2-phenyl-4H-pyrazol-1-ium-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[(4-propan-2-ylphenyl)methylideneamino]-4H-pyrazol-1-ium-3-one IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(4-propan-2-ylphenyl)methylideneamino]-4H-pyrazol-1-ium-3-one Traditional Name: 4-[(4-isopropylbenzylidene)amino]-1,5-dimethyl-2-phenyl-2-pyrazolin-1-ium-3-one Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N3O/c1-15(2)18-12-10-17(11-13-18)14-22-20-16(3)23(4)24(21(20)25)19-8-6-5-7-9-19/h5-15,20H,1-4H3/q+1