(1Z)-1-[(4-tert-butylphenyl)methylidene]-5,5-dimethyl-pyrazolidin-1-ium-3-one

Systemtic Name: (1Z)-1-[(4-tert-butylphenyl)methylidene]-5,5-dimethyl-pyrazolidin-1-ium-3-one Openeye Name: (1Z)-1-[(4-tert-butylphenyl)methylene]-5,5-dimethyl-pyrazolidin-1-ium-3-one CAS Name: (1Z)-1-[(4-tert-butylphenyl)methylidene]-5,5-dimethyl-3-pyrazolidin-1-iumone IUPAC Name: (1Z)-1-[(4-tert-butylphenyl)methylidene]-5,5-dimethylpyrazolidin-1-ium-3-one Traditional Name: (1Z)-1-(4-tert-butylbenzylidene)-5,5-dimethyl-pyrazolidin-1-ium-3-one Formula: C16H23N2O+ MolecularWeight: 259.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N[N+]1=CC2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CC\1(CC(=O)N/[N+]1=C\C2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C16H22N2O/c1-15(2,3)13-8-6-12(7-9-13)11-18-16(4,5)10-14(19)17-18/h6-9,11H,10H2,1-5H3/p+1/b18-11-