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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)CC)O

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)CC)O

InChI

InChI=1S/C26H28N2O3S/c1-3-16-9-7-8-14-28(16)15-18-20(29)13-12-17-24(30)23(21(4-2)31-25(17)18)26-27-19-10-5-6-11-22(19)32-26/h5-6,10-13,16,29H,3-4,7-9,14-15H2,1-2H3/p+1/t16-/m0/s1