2,4,4-trimethyl-2-(phenylmethyl)-3H-pyrazol-2-ium-5-olate

Systemtic Name: 2,4,4-trimethyl-2-(phenylmethyl)-3H-pyrazol-2-ium-5-olate Openeye Name: 2-benzyl-2,4,4-trimethyl-3H-pyrazol-2-ium-5-olate CAS Name: 2,4,4-trimethyl-2-(phenylmethyl)-3H-pyrazol-2-ium-5-olate IUPAC Name: 2-benzyl-2,4,4-trimethyl-3H-pyrazol-2-ium-5-olate Traditional Name: 1-benzyl-1,4,4-trimethyl-2-pyrazolin-1-ium-3-olate Formula: C13H18N2O MolecularWeight: 218.29482

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+](N=C1[O-])(C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1(C[N+](N=C1[O-])(C)CC2=CC=CC=C2)C

InChI

InChI=1S/C13H18N2O/c1-13(2)10-15(3,14-12(13)16)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3