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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C25H28N3O4S+ MolecularWeight: 466.57252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCN(CC3)CCO)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCN(CC3)CCO)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N3O4S/c1-2-20-22(25-26-18-5-3-4-6-21(18)33-25)23(31)16-7-8-19(30)17(24(16)32-20)15-28-11-9-27(10-12-28)13-14-29/h3-8,29-30H,2,9-15H2,1H3/p+1