2-[2-[3-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]-2-methyl-prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol bromide

Systemtic Name: 2-[2-[3-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]-2-methyl-prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol bromide Openeye Name: 2-[2-[3-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]-2-methyl-prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol bromide CAS Name: 2-[2-[3-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]-2-methylprop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol bromide IUPAC Name: 2-[2-[3-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]-2-methylprop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol bromide Traditional Name: 2-[2-[3-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]-2-methyl-prop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol bromide Formula: C22H23BrN2O2S2 MolecularWeight: 491.46422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=[N+](C2=CC=CC=C2S1)CCO)C=C3N(C4=CC=CC=C4S3)CCO.[Br-]

Isomeric SMILES

CC(=CC1=[N+](C2=CC=CC=C2S1)CCO)C=C3N(C4=CC=CC=C4S3)CCO.[Br-]

InChI

InChI=1S/C22H23N2O2S2.BrH/c1-16(14-21-23(10-12-25)17-6-2-4-8-19(17)27-21)15-22-24(11-13-26)18-7-3-5-9-20(18)28-22;/h2-9,14-15,25-26H,10-13H2,1H3;1H/q+1;/p-1