N-(1,2-dimethyl-4-oxidanylidene-3-phenyl-3H-pyrazol-1-ium-5-yl)ethanamide chloride

Systemtic Name: N-(1,2-dimethyl-4-oxidanylidene-3-phenyl-3H-pyrazol-1-ium-5-yl)ethanamide chloride Openeye Name: N-(1,2-dimethyl-4-oxo-3-phenyl-3H-pyrazol-1-ium-5-yl)acetamide chloride CAS Name: N-(1,2-dimethyl-4-oxo-3-phenyl-3H-pyrazol-1-ium-5-yl)acetamide chloride IUPAC Name: N-(1,2-dimethyl-4-oxo-3-phenyl-3H-pyrazol-1-ium-5-yl)acetamide chloride Traditional Name: N-(4-keto-1,2-dimethyl-5-phenyl-2-pyrazolin-2-ium-3-yl)acetamide chloride Formula: C13H16ClN3O2 MolecularWeight: 281.73804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=[N+](N(C(C1=O)C2=CC=CC=C2)C)C.[Cl-]

Isomeric SMILES

CC(=O)NC1=[N+](N(C(C1=O)C2=CC=CC=C2)C)C.[Cl-]

InChI

InChI=1S/C13H15N3O2.ClH/c1-9(17)14-13-12(18)11(15(2)16(13)3)10-7-5-4-6-8-10;/h4-8,11H,1-3H3;1H