1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-4H-pyrazol-1-ium-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-4H-pyrazol-1-ium-3-one Openeye Name: 4-(isopropylamino)-1,5-dimethyl-2-phenyl-4H-pyrazol-1-ium-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-4H-pyrazol-1-ium-3-one IUPAC Name: 1,5-dimethyl-2-phenyl-4-(propan-2-ylamino)-4H-pyrazol-1-ium-3-one Traditional Name: 4-(isopropylamino)-1,5-dimethyl-2-phenyl-2-pyrazolin-1-ium-3-one Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N(C(=O)C1NC(C)C)C2=CC=CC=C2)C

Isomeric SMILES

CC1=[N+](N(C(=O)C1NC(C)C)C2=CC=CC=C2)C

InChI

InChI=1S/C14H20N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,13,15H,1-4H3/q+1