2-[(2Z)-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol

Systemtic Name: 2-[(2Z)-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol Openeye Name: 2-[(2Z)-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]ethanol CAS Name: 2-[(2Z)-2-[(1-ethyl-6-methoxy-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]ethanol IUPAC Name: 2-[(2Z)-2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol Traditional Name: 2-[(2Z)-2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]ethanol Formula: C22H23N2O2S+ MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)C=C3N(C4=CC=CC=C4S3)CCO

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)/C=C\3/N(C4=CC=CC=C4S3)CCO

InChI

InChI=1S/C22H23N2O2S/c1-3-23-17(9-8-16-14-18(26-2)10-11-19(16)23)15-22-24(12-13-25)20-6-4-5-7-21(20)27-22/h4-11,14-15,25H,3,12-13H2,1-2H3/q+1