2-cyclobutyl-3-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-cyclobutyl-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-cyclobutyl-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-cyclobutyl-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-cyclobutyl-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-cyclobutyl-3-methyl-1,3-benzothiazol-3-ium Formula: C12H14NS+ MolecularWeight: 204.31126

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C3CCC3

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C3CCC3

InChI

InChI=1S/C12H14NS/c1-13-10-7-2-3-8-11(10)14-12(13)9-5-4-6-9/h2-3,7-9H,4-6H2,1H3/q+1