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

Systemtic Name: 1-(2-hydroxyethyl)-4-methyl-2-phenylazanyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Openeye Name: 2-anilino-1-(2-hydroxyethyl)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride CAS Name: 2-anilino-1-(2-hydroxyethyl)-4-methyl-5-benzo[e][1,3]benzothiazol-1-iumol chloride IUPAC Name: 2-anilino-1-(2-hydroxyethyl)-4-methylbenzo[e][1,3]benzothiazol-1-ium-5-ol chloride Traditional Name: 2-anilino-1-(2-hydroxyethyl)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2S.ClH/c1-13-18(24)16-10-6-5-9-15(16)17-19(13)25-20(22(17)11-12-23)21-14-7-3-2-4-8-14;/h2-10,23-24H,11-12H2,1H3;1H