1-ethanoyl-2-(4-ethanoylphenyl)-1-methylsulfonyl-pyrazolidin-1-ium-4-one

Systemtic Name: 1-ethanoyl-2-(4-ethanoylphenyl)-1-methylsulfonyl-pyrazolidin-1-ium-4-one Openeye Name: 1-acetyl-2-(4-acetylphenyl)-1-methylsulfonyl-pyrazolidin-1-ium-4-one CAS Name: 1-acetyl-2-(4-acetylphenyl)-1-methylsulfonyl-4-pyrazolidin-1-iumone IUPAC Name: 1-acetyl-2-(4-acetylphenyl)-1-methylsulfonylpyrazolidin-1-ium-4-one Traditional Name: 1-acetyl-2-(4-acetylphenyl)-1-mesyl-pyrazolidin-1-ium-4-one Formula: C14H17N2O5S+ MolecularWeight: 325.36018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC(=O)C[N+]2(C(=O)C)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC(=O)C[N+]2(C(=O)C)S(=O)(=O)C

InChI

InChI=1S/C14H17N2O5S/c1-10(17)12-4-6-13(7-5-12)15-8-14(19)9-16(15,11(2)18)22(3,20)21/h4-7H,8-9H2,1-3H3/q+1