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

Systemtic Name: 1,4-dimethyl-2-(octylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Openeye Name: 1,4-dimethyl-2-(octylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride CAS Name: 1,4-dimethyl-2-(octylamino)-5-benzo[e][1,3]benzothiazol-1-iumol chloride IUPAC Name: 1,4-dimethyl-2-(octylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Traditional Name: 1,4-dimethyl-2-(octylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Formula: C21H29ClN2OS MolecularWeight: 392.98576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=[N+](C2=C(S1)C(=C(C3=CC=CC=C32)O)C)C.[Cl-]

Isomeric SMILES

CCCCCCCCNC1=[N+](C2=C(S1)C(=C(C3=CC=CC=C32)O)C)C.[Cl-]

InChI

InChI=1S/C21H28N2OS.ClH/c1-4-5-6-7-8-11-14-22-21-23(3)18-16-12-9-10-13-17(16)19(24)15(2)20(18)25-21;/h9-10,12-13,24H,4-8,11,14H2,1-3H3;1H