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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C23H24N3O4S+ MolecularWeight: 438.51936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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