3-tert-butyl-2-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-tert-butyl-2-methyl-1,3-benzothiazol-3-ium Openeye Name: 3-tert-butyl-2-methyl-1,3-benzothiazol-3-ium CAS Name: 3-tert-butyl-2-methyl-1,3-benzothiazol-3-ium IUPAC Name: 3-tert-butyl-2-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-tert-butyl-2-methyl-1,3-benzothiazol-3-ium Formula: C12H16NS+ MolecularWeight: 206.32714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)C(C)(C)C

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)C(C)(C)C

InChI

InChI=1S/C12H16NS/c1-9-13(12(2,3)4)10-7-5-6-8-11(10)14-9/h5-8H,1-4H3/q+1