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

Systemtic Name: 2-cyclopentyl-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-cyclopentyl-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-cyclopentyl-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-cyclopentyl-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-cyclopentyl-3-methyl-1,3-benzothiazol-3-ium Formula: C13H16NS+ MolecularWeight: 218.33784

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C3CCCC3

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C3CCCC3

InChI

InChI=1S/C13H16NS/c1-14-11-8-4-5-9-12(11)15-13(14)10-6-2-3-7-10/h4-5,8-10H,2-3,6-7H2,1H3/q+1