2-tert-butyl-3-chloranyl-1,1-dimethyl-isoindol-2-ium chloride

Systemtic Name: 2-tert-butyl-3-chloranyl-1,1-dimethyl-isoindol-2-ium chloride Openeye Name: 2-tert-butyl-3-chloro-1,1-dimethyl-isoindol-2-ium chloride CAS Name: 2-tert-butyl-3-chloro-1,1-dimethylisoindol-2-ium chloride IUPAC Name: 2-tert-butyl-3-chloro-1,1-dimethylisoindol-2-ium chloride Traditional Name: 2-tert-butyl-3-chloro-1,1-dimethyl-isoindol-2-ium chloride Formula: C14H19Cl2N MolecularWeight: 272.21336

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=[N+]1C(C)(C)C)Cl)C.[Cl-]

Isomeric SMILES

CC1(C2=CC=CC=C2C(=[N+]1C(C)(C)C)Cl)C.[Cl-]

InChI

InChI=1S/C14H19ClN.ClH/c1-13(2,3)16-12(15)10-8-6-7-9-11(10)14(16,4)5;/h6-9H,1-5H3;1H/q+1;/p-1