3-butyl-2,5-dimethyl-1,3-benzothiazol-3-ium chloride

Systemtic Name: 3-butyl-2,5-dimethyl-1,3-benzothiazol-3-ium chloride Openeye Name: 3-butyl-2,5-dimethyl-1,3-benzothiazol-3-ium chloride CAS Name: 3-butyl-2,5-dimethyl-1,3-benzothiazol-3-ium chloride IUPAC Name: 3-butyl-2,5-dimethyl-1,3-benzothiazol-3-ium chloride Traditional Name: 3-butyl-2,5-dimethyl-1,3-benzothiazol-3-ium chloride Formula: C13H18ClNS MolecularWeight: 255.80672

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(SC2=C1C=C(C=C2)C)C.[Cl-]

Isomeric SMILES

CCCC[N+]1=C(SC2=C1C=C(C=C2)C)C.[Cl-]

InChI

InChI=1S/C13H18NS.ClH/c1-4-5-8-14-11(3)15-13-7-6-10(2)9-12(13)14;/h6-7,9H,4-5,8H2,1-3H3;1H/q+1;/p-1