3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-[4-(4-bromophenyl)thiazol-2-yl]-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 3-[4-(4-bromophenyl)-2-thiazolyl]-8-[(2-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-8-[(2-methylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 3-[4-(4-bromophenyl)thiazol-2-yl]-2-keto-8-[(2-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C25H23BrN2O3S MolecularWeight: 511.43072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC(=CS4)C5=CC=C(C=C5)Br)[O-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC(=CS4)C5=CC=C(C=C5)Br)[O-]

InChI

InChI=1S/C25H23BrN2O3S/c1-15-4-2-3-11-28(15)13-20-22(29)10-7-17-12-19(25(30)31-23(17)20)24-27-21(14-32-24)16-5-8-18(26)9-6-16/h5-10,12,14-15,29H,2-4,11,13H2,1H3