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

Systemtic Name: 1,4-dimethyl-2-(phenethylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Openeye Name: 1,4-dimethyl-2-(phenethylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride CAS Name: 1,4-dimethyl-2-(phenethylamino)-5-benzo[e][1,3]benzothiazol-1-iumol chloride IUPAC Name: 1,4-dimethyl-2-(phenethylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Traditional Name: 1,4-dimethyl-2-(phenethylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C3=C1SC(=[N+]3C)NCCC4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C3=C1SC(=[N+]3C)NCCC4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C21H20N2OS.ClH/c1-14-19(24)17-11-7-6-10-16(17)18-20(14)25-21(23(18)2)22-13-12-15-8-4-3-5-9-15;/h3-11,24H,12-13H2,1-2H3;1H