methyl 4-[(5Z)-4-methyl-5-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: methyl 4-[(5Z)-4-methyl-5-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[(5Z)-4-methyl-5-[(1-methylquinolin-1-ium-2-yl)methylene]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[(5Z)-4-methyl-5-[(1-methyl-2-quinolin-1-iumyl)methylidene]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5Z)-4-methyl-5-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[(5Z)-4-methyl-5-[(1-methylquinolin-1-ium-2-yl)methylene]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C22H20N3O2S+ MolecularWeight: 390.4781

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=[N+](C3=CC=CC=C3C=C2)C)SC(=N1)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)C)/SC(=N1)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H20N3O2S/c1-24-18(13-12-15-6-4-5-7-19(15)24)14-20-25(2)23-21(28-20)16-8-10-17(11-9-16)22(26)27-3/h4-14H,1-3H3/q+1