(1Z)-5,5-dimethyl-1-(phenylmethylidene)pyrazolidin-1-ium-3-one

Systemtic Name: (1Z)-5,5-dimethyl-1-(phenylmethylidene)pyrazolidin-1-ium-3-one Openeye Name: (1Z)-1-benzylidene-5,5-dimethyl-pyrazolidin-1-ium-3-one CAS Name: (1Z)-5,5-dimethyl-1-(phenylmethylene)-3-pyrazolidin-1-iumone IUPAC Name: (1Z)-1-benzylidene-5,5-dimethylpyrazolidin-1-ium-3-one Traditional Name: (1Z)-1-benzal-5,5-dimethyl-pyrazolidin-1-ium-3-one Formula: C12H15N2O+ MolecularWeight: 203.2603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O/c1-12(2)8-11(15)13-14(12)9-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/p+1/b14-9-