2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-3,6-dimethyl-1,3-benzothiazole

Systemtic Name: 2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylidene]-3,6-dimethyl-1,3-benzothiazole Openeye Name: 2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-3,6-dimethyl-1,3-benzothiazole CAS Name: 2-[(1-ethyl-6-methoxy-2-quinolin-1-iumyl)methylidene]-3,6-dimethyl-1,3-benzothiazole IUPAC Name: 2-[(1-ethyl-6-methoxyquinolin-1-ium-2-yl)methylidene]-3,6-dimethyl-1,3-benzothiazole Traditional Name: 2-[(1-ethyl-6-methoxy-quinolin-1-ium-2-yl)methylene]-3,6-dimethyl-1,3-benzothiazole Formula: C22H23N2OS+ MolecularWeight: 363.49582

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)C=C3N(C4=C(S3)C=C(C=C4)C)C

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=CC(=C2)OC)C=C3N(C4=C(S3)C=C(C=C4)C)C

InChI

InChI=1S/C22H23N2OS/c1-5-24-17(8-7-16-13-18(25-4)9-11-19(16)24)14-22-23(3)20-10-6-15(2)12-21(20)26-22/h6-14H,5H2,1-4H3/q+1