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

Systemtic Name: 3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole Openeye Name: 3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazole CAS Name: 3-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazole IUPAC Name: 3-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole Traditional Name: 3-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazole Formula: C22H23N2S+ MolecularWeight: 347.49642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N2S/c1-4-23-18(12-11-17-14-16(3)10-13-19(17)23)15-22-24(5-2)20-8-6-7-9-21(20)25-22/h6-15H,4-5H2,1-3H3/q+1