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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxychromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-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=C3C(=CC(=C2O)CC)C(=O)C(=CO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C3C(=CC(=C2O)CC)C(=O)C(=CO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H28N2O3S/c1-3-16-13-18-24(30)20(26-27-21-10-5-6-11-22(21)32-26)15-31-25(18)19(23(16)29)14-28-12-8-7-9-17(28)4-2/h5-6,10-11,13,15,17,29H,3-4,7-9,12,14H2,1-2H3/p+1/t17-/m0/s1