3,3-di(propan-2-yl)-2H-1,3-benzothiazol-3-ium

Systemtic Name: 3,3-di(propan-2-yl)-2H-1,3-benzothiazol-3-ium Openeye Name: 3,3-diisopropyl-2H-1,3-benzothiazol-3-ium CAS Name: 3,3-di(propan-2-yl)-2H-1,3-benzothiazol-3-ium IUPAC Name: 3,3-di(propan-2-yl)-2H-1,3-benzothiazol-3-ium Traditional Name: 3,3-diisopropyl-2H-1,3-benzothiazol-3-ium Formula: C13H20NS+ MolecularWeight: 222.3696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(CSC2=CC=CC=C21)C(C)C

Isomeric SMILES

CC(C)[N+]1(CSC2=CC=CC=C21)C(C)C

InChI

InChI=1S/C13H20NS/c1-10(2)14(11(3)4)9-15-13-8-6-5-7-12(13)14/h5-8,10-11H,9H2,1-4H3/q+1