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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-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-2-methyl-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-2-methyl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2-methylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2-methyl-chromone Formula: C25H27N2O3S+ MolecularWeight: 435.55848

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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)C)O

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-3-16-8-6-7-13-27(16)14-18-20(28)12-11-17-23(29)22(15(2)30-24(17)18)25-26-19-9-4-5-10-21(19)31-25/h4-5,9-12,16,28H,3,6-8,13-14H2,1-2H3/p+1/t16-/m0/s1