1,5-dimethyl-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-2-phenyl-pyrazol-2-ium-3-one chloride

Systemtic Name: 1,5-dimethyl-2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-2-phenyl-pyrazol-2-ium-3-one chloride Openeye Name: 1,5-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]-2-phenyl-pyrazol-2-ium-3-one chloride CAS Name: 1,5-dimethyl-2-[(2-oxo-1-pyrrolidinyl)methyl]-2-phenyl-3-pyrazol-2-iumone chloride IUPAC Name: 1,5-dimethyl-2-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylpyrazol-2-ium-3-one chloride Traditional Name: 2-[(2-ketopyrrolidino)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-2-ium-3-one chloride Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+](N1C)(CN2CCCC2=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC(=O)[N+](N1C)(CN2CCCC2=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H20N3O2.ClH/c1-13-11-16(21)19(17(13)2,14-7-4-3-5-8-14)12-18-10-6-9-15(18)20;/h3-5,7-8,11H,6,9-10,12H2,1-2H3;1H/q+1;/p-1