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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-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]-2-methyl-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-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]-2-methylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-chromone Formula: C24H26N3O4S+ MolecularWeight: 452.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCN(CC3)CCO)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCN(CC3)CCO)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H25N3O4S/c1-15-21(24-25-18-4-2-3-5-20(18)32-24)22(30)16-6-7-19(29)17(23(16)31-15)14-27-10-8-26(9-11-27)12-13-28/h2-7,28-29H,8-14H2,1H3/p+1