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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxychromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-chromone Formula: C24H25N2O3S+ MolecularWeight: 421.5319

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3S/c1-2-15-7-5-6-12-26(15)13-17-20(27)11-10-16-22(28)18(14-29-23(16)17)24-25-19-8-3-4-9-21(19)30-24/h3-4,8-11,14-15,27H,2,5-7,12-13H2,1H3/p+1/t15-/m0/s1