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

Systemtic Name: 2-cyclopropyl-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-cyclopropyl-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-cyclopropyl-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-cyclopropyl-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-cyclopropyl-3-methyl-1,3-benzothiazol-3-ium Formula: C11H12NS+ MolecularWeight: 190.28468

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C3CC3

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C3CC3

InChI

InChI=1S/C11H12NS/c1-12-9-4-2-3-5-10(9)13-11(12)8-6-7-8/h2-5,8H,6-7H2,1H3/q+1