3-(3H-1,3-benzothiazol-2-ylidene)-8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]chromene-2,7-dione

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]chromene-2,7-dione Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]chromene-2,7-dione CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2,7-dione IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]chromene-2,7-dione Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]chromene-2,7-quinone Formula: C24H25N2O3S+ MolecularWeight: 421.5319

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

InChI

InChI=1S/C24H24N2O3S/c1-2-16-7-5-6-12-26(16)14-18-20(27)11-10-15-13-17(24(28)29-22(15)18)23-25-19-8-3-4-9-21(19)30-23/h3-4,8-11,13,16,25H,2,5-7,12,14H2,1H3/p+1/t16-/m1/s1