6-ethyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-chromen-4-one

Systemtic Name: 6-ethyl-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-(4-methylthiazol-2-yl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-8-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-3-(4-methyl-2-thiazolyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-8-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-(4-methylthiazol-2-yl)chromone Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)C[NH+]4CCCCC4C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)C[NH+]4CCCC[C@@H]4C)O

InChI

InChI=1S/C22H26N2O3S/c1-4-15-9-16-20(26)18(22-23-13(2)12-28-22)11-27-21(16)17(19(15)25)10-24-8-6-5-7-14(24)3/h9,11-12,14,25H,4-8,10H2,1-3H3/p+1/t14-/m0/s1