2-(1,3-benzothiazol-2-yl)-5-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-4H-pyridazin-2-ium-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-4H-pyridazin-2-ium-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-morpholino-6-(trifluoromethyl)-4H-pyridazin-2-ium-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(4-morpholinyl)-6-(trifluoromethyl)-4H-pyridazin-2-ium-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-4H-pyridazin-2-ium-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-morpholino-6-(trifluoromethyl)-4H-pyridazin-2-ium-3-one Formula: C17H16F3N4O2S+ MolecularWeight: 397.39475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=[N+](C(=O)C1N2CCOCC2)C3=NC4=CC=CC=C4S3)C(F)(F)F

Isomeric SMILES

CC1=C(N=[N+](C(=O)C1N2CCOCC2)C3=NC4=CC=CC=C4S3)C(F)(F)F

InChI

InChI=1S/C17H16F3N4O2S/c1-10-13(23-6-8-26-9-7-23)15(25)24(22-14(10)17(18,19)20)16-21-11-4-2-3-5-12(11)27-16/h2-5,13H,6-9H2,1H3/q+1