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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-keto-chromen-7-olate Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5S4)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5S4)[O-])CCO

InChI

InChI=1S/C23H23N3O4S/c27-12-11-25-7-9-26(10-8-25)14-17-19(28)6-5-15-13-16(23(29)30-21(15)17)22-24-18-3-1-2-4-20(18)31-22/h1-6,13,27-28H,7-12,14H2