3-butylsulfonyl-5-chloranyl-2-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-butylsulfonyl-5-chloranyl-2-methyl-1,3-benzothiazol-3-ium Openeye Name: 3-butylsulfonyl-5-chloro-2-methyl-1,3-benzothiazol-3-ium CAS Name: 3-butylsulfonyl-5-chloro-2-methyl-1,3-benzothiazol-3-ium IUPAC Name: 3-butylsulfonyl-5-chloro-2-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-butylsulfonyl-5-chloro-2-methyl-1,3-benzothiazol-3-ium Formula: C12H15ClNO2S2+ MolecularWeight: 304.836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)[N+]1=C(SC2=C1C=C(C=C2)Cl)C

Isomeric SMILES

CCCCS(=O)(=O)[N+]1=C(SC2=C1C=C(C=C2)Cl)C

InChI

InChI=1S/C12H15ClNO2S2/c1-3-4-7-18(15,16)14-9(2)17-12-6-5-10(13)8-11(12)14/h5-6,8H,3-4,7H2,1-2H3/q+1