3-(1,3-benzothiazol-2-yl)-8-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]-6-ethyl-7-hydroxy-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxychromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-chromone Formula: C26H29N2O3S+ MolecularWeight: 449.58506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+]5C(CCCC5C)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+]5[C@@H](CCC[C@H]5C)C)O

InChI

InChI=1S/C26H28N2O3S/c1-4-17-12-18-24(30)20(26-27-21-10-5-6-11-22(21)32-26)14-31-25(18)19(23(17)29)13-28-15(2)8-7-9-16(28)3/h5-6,10-12,14-16,29H,4,7-9,13H2,1-3H3/p+1/t15-,16-/m1/s1