2-(butylamino)-1,4-dimethyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride

Systemtic Name: 2-(butylamino)-1,4-dimethyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Openeye Name: 2-(butylamino)-1,4-dimethyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride CAS Name: 2-(butylamino)-1,4-dimethyl-5-benzo[e][1,3]benzothiazol-1-iumol chloride IUPAC Name: 2-(butylamino)-1,4-dimethylbenzo[e][1,3]benzothiazol-1-ium-5-ol chloride Traditional Name: 2-(butylamino)-1,4-dimethyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Formula: C17H21ClN2OS MolecularWeight: 336.87944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[N+](C2=C(S1)C(=C(C3=CC=CC=C32)O)C)C.[Cl-]

Isomeric SMILES

CCCCNC1=[N+](C2=C(S1)C(=C(C3=CC=CC=C32)O)C)C.[Cl-]

InChI

InChI=1S/C17H20N2OS.ClH/c1-4-5-10-18-17-19(3)14-12-8-6-7-9-13(12)15(20)11(2)16(14)21-17;/h6-9,20H,4-5,10H2,1-3H3;1H