2-[2-[5-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]ethanol bromide

Systemtic Name: 2-[2-[5-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]ethanol bromide Openeye Name: 2-[2-[5-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]ethanol bromide CAS Name: 2-[2-[5-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]ethanol bromide IUPAC Name: 2-[2-[5-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]ethanol bromide Traditional Name: 2-[2-[5-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]penta-2,4-dienylidene]-1,3-benzothiazol-3-yl]ethanol bromide Formula: C23H23BrN2O2S2 MolecularWeight: 503.47492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCO)S2)CCO.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCO)S2)CCO.[Br-]

InChI

InChI=1S/C23H23N2O2S2.BrH/c26-16-14-24-18-8-4-6-10-20(18)28-22(24)12-2-1-3-13-23-25(15-17-27)19-9-5-7-11-21(19)29-23;/h1-13,26-27H,14-17H2;1H/q+1;/p-1