6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-3-(4-methylthiazol-2-yl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-3-(4-methyl-2-thiazolyl)-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-3-(4-methylthiazol-2-yl)-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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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+]4CCCCC4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)C[NH+]4CCCCC4)O

InChI

InChI=1S/C21H24N2O3S/c1-3-14-9-15-19(25)17(21-22-13(2)12-27-21)11-26-20(15)16(18(14)24)10-23-7-5-4-6-8-23/h9,11-12,24H,3-8,10H2,1-2H3/p+1