(2Z)-3-ethyl-2-[(1-ethyl-7-methyl-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-olate

Systemtic Name: (2Z)-3-ethyl-2-[(1-ethyl-7-methyl-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-olate Openeye Name: (2Z)-3-ethyl-2-[(1-ethyl-7-methyl-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-5-olate CAS Name: (2Z)-3-ethyl-2-[(1-ethyl-7-methyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazol-5-olate IUPAC Name: (2Z)-3-ethyl-2-[(1-ethyl-7-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-5-olate Traditional Name: (2Z)-3-ethyl-2-[(1-ethyl-7-methyl-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazol-5-olate Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2OS/c1-4-23-17(9-8-16-7-6-15(3)12-19(16)23)13-22-24(5-2)20-14-18(25)10-11-21(20)26-22/h6-14H,4-5H2,1-3H3