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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)C[NH+]4CCCC(C4)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)C[NH+]4CCC[C@@H](C4)C)O

InChI

InChI=1S/C22H26N2O3S/c1-4-15-8-16-20(26)18(22-23-14(3)12-28-22)11-27-21(16)17(19(15)25)10-24-7-5-6-13(2)9-24/h8,11-13,25H,4-7,9-10H2,1-3H3/p+1/t13-/m0/s1