dimethyl-[[2-methyl-7-oxidanyl-4-oxidanylidene-3-(1,3-thiazol-4-yl)chromen-8-yl]methyl]azanium

Systemtic Name: dimethyl-[[2-methyl-7-oxidanyl-4-oxidanylidene-3-(1,3-thiazol-4-yl)chromen-8-yl]methyl]azanium Openeye Name: (7-hydroxy-2-methyl-4-oxo-3-thiazol-4-yl-chromen-8-yl)methyl-dimethyl-ammonium CAS Name: [7-hydroxy-2-methyl-4-oxo-3-(4-thiazolyl)-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [7-hydroxy-2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-8-yl]methyl-dimethylazanium Traditional Name: (7-hydroxy-4-keto-2-methyl-3-thiazol-4-yl-chromen-8-yl)methyl-dimethyl-ammonium Formula: C16H17N2O3S+ MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](C)C)C3=CSC=N3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](C)C)C3=CSC=N3

InChI

InChI=1S/C16H16N2O3S/c1-9-14(12-7-22-8-17-12)15(20)10-4-5-13(19)11(6-18(2)3)16(10)21-9/h4-5,7-8,19H,6H2,1-3H3/p+1