3-(1,3-benzothiazol-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-keto-chromen-7-olate Formula: C24H24N2O3S MolecularWeight: 420.52396

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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

CCC1CCCC[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