4-methyl-2-phenylazanyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride

Systemtic Name: 4-methyl-2-phenylazanyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Openeye Name: 2-anilino-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride CAS Name: 2-anilino-4-methyl-5-benzo[e][1,3]benzothiazol-1-iumol chloride IUPAC Name: 2-anilino-4-methylbenzo[e][1,3]benzothiazol-1-ium-5-ol chloride Traditional Name: 2-anilino-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Formula: C18H15ClN2OS MolecularWeight: 342.8425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C3=C1SC(=[NH+]3)NC4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C3=C1SC(=[NH+]3)NC4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C18H14N2OS.ClH/c1-11-16(21)14-10-6-5-9-13(14)15-17(11)22-18(20-15)19-12-7-3-2-4-8-12;/h2-10,21H,1H3,(H,19,20);1H