3-chloranyl-2-[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-isoindol-2-ium chloride

Systemtic Name: 3-chloranyl-2-[2,6-di(propan-2-yl)phenyl]-1,1-dimethyl-isoindol-2-ium chloride Openeye Name: 3-chloro-2-(2,6-diisopropylphenyl)-1,1-dimethyl-isoindol-2-ium chloride CAS Name: 3-chloro-2-[2,6-di(propan-2-yl)phenyl]-1,1-dimethylisoindol-2-ium chloride IUPAC Name: 3-chloro-2-[2,6-di(propan-2-yl)phenyl]-1,1-dimethylisoindol-2-ium chloride Traditional Name: 3-chloro-2-(2,6-diisopropylphenyl)-1,1-dimethyl-isoindol-2-ium chloride Formula: C22H27Cl2N MolecularWeight: 376.36248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)[N+]2=C(C3=CC=CC=C3C2(C)C)Cl.[Cl-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)[N+]2=C(C3=CC=CC=C3C2(C)C)Cl.[Cl-]

InChI

InChI=1S/C22H27ClN.ClH/c1-14(2)16-11-9-12-17(15(3)4)20(16)24-21(23)18-10-7-8-13-19(18)22(24,5)6;/h7-15H,1-6H3;1H/q+1;/p-1