(2E)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazole

Systemtic Name: (2E)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazole Openeye Name: (2E)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzothiazole CAS Name: (2E)-3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]-5-methoxy-1,3-benzothiazole IUPAC Name: (2E)-3-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-5-methoxy-1,3-benzothiazole Traditional Name: (2E)-3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-5-methoxy-1,3-benzothiazole Formula: C23H25N2OS+ MolecularWeight: 377.5224

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)OC)SC1=CC3=[N+](C4=C(C=C3)C=C(C=C4)C)CC

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)OC)S/C1=C/C3=[N+](C4=C(C=C3)C=C(C=C4)C)CC

InChI

InChI=1S/C23H25N2OS/c1-5-24-18(9-8-17-13-16(3)7-11-20(17)24)14-23-25(6-2)21-15-19(26-4)10-12-22(21)27-23/h7-15H,5-6H2,1-4H3/q+1