dimethyl-[[5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium

Systemtic Name: dimethyl-[[5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl]azanium Openeye Name: [4-hydroxy-5-methyl-3-(4-methylthiazol-2-yl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [4-hydroxy-5-methyl-3-(4-methyl-2-thiazolyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [4-hydroxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [4-hydroxy-7-keto-5-methyl-3-(4-methylthiazol-2-yl)-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C17H23N2O3S+ MolecularWeight: 335.44112

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C2C1=C(C(=CO2)C3=NC(=CS3)C)O)C[NH+](C)C

Isomeric SMILES

CC1CC(=O)C(C2C1=C(C(=CO2)C3=NC(=CS3)C)O)C[NH+](C)C

InChI

InChI=1S/C17H22N2O3S/c1-9-5-13(20)11(6-19(3)4)16-14(9)15(21)12(7-22-16)17-18-10(2)8-23-17/h7-9,11,16,21H,5-6H2,1-4H3/p+1