5-[(2-methylpyrazol-2-ium-1-yl)methyl]-3,3-diphenyl-oxolan-2-one chloride

Systemtic Name: 5-[(2-methylpyrazol-2-ium-1-yl)methyl]-3,3-diphenyl-oxolan-2-one chloride Openeye Name: 5-[(2-methylpyrazol-2-ium-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one chloride CAS Name: 5-[(2-methyl-1-pyrazol-2-iumyl)methyl]-3,3-diphenyl-2-oxolanone chloride IUPAC Name: 5-[(2-methylpyrazol-2-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride Traditional Name: 5-[(2-methylpyrazol-2-ium-1-yl)methyl]-3,3-diphenyl-tetrahydrofuran-2-one chloride Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CN1CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[N+]1=CC=CN1CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H21N2O2.ClH/c1-22-13-8-14-23(22)16-19-15-21(20(24)25-19,17-9-4-2-5-10-17)18-11-6-3-7-12-18;/h2-14,19H,15-16H2,1H3;1H/q+1;/p-1