2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanoic acid bromide

Systemtic Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanoic acid bromide Openeye Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]acetic acid bromide CAS Name: 2-[(2Z)-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]acetic acid bromide IUPAC Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]acetic acid bromide Traditional Name: 2-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]acetic acid bromide Formula: C21H19BrN2O2S MolecularWeight: 443.35676

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)CC(=O)O.[Br-]

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)/C=C\3/N(C4=CC=CC=C4S3)CC(=O)O.[Br-]

InChI

InChI=1S/C21H18N2O2S.BrH/c1-2-22-16(12-11-15-7-3-4-8-17(15)22)13-20-23(14-21(24)25)18-9-5-6-10-19(18)26-20;/h3-13H,2,14H2,1H3;1H