[3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-6-propyl-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-6-propyl-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-oxo-6-propyl-2-(trifluoromethyl)chromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-6-propyl-2-(trifluoromethyl)chromen-8-yl]methyl-dimethyl-ammonium Formula: C23H22F3N2O3S+ MolecularWeight: 463.49259

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)C[NH+](C)C)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)C[NH+](C)C)O

InChI

InChI=1S/C23H21F3N2O3S/c1-4-7-12-10-13-19(30)17(22-27-15-8-5-6-9-16(15)32-22)21(23(24,25)26)31-20(13)14(18(12)29)11-28(2)3/h5-6,8-10,29H,4,7,11H2,1-3H3/p+1