2-[(7-ethoxy-1-methyl-quinolin-1-ium-2-yl)methylidene]-3-ethyl-1,3-benzothiazole

Systemtic Name: 2-[(7-ethoxy-1-methyl-quinolin-1-ium-2-yl)methylidene]-3-ethyl-1,3-benzothiazole Openeye Name: 2-[(7-ethoxy-1-methyl-quinolin-1-ium-2-yl)methylene]-3-ethyl-1,3-benzothiazole CAS Name: 2-[(7-ethoxy-1-methyl-2-quinolin-1-iumyl)methylidene]-3-ethyl-1,3-benzothiazole IUPAC Name: 2-[(7-ethoxy-1-methylquinolin-1-ium-2-yl)methylidene]-3-ethyl-1,3-benzothiazole Traditional Name: 2-[(7-ethoxy-1-methyl-quinolin-1-ium-2-yl)methylene]-3-ethyl-1,3-benzothiazole Formula: C22H23N2OS+ MolecularWeight: 363.49582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=[N+](C4=C(C=CC(=C4)OCC)C=C3)C

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=CC3=[N+](C4=C(C=CC(=C4)OCC)C=C3)C

InChI

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