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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-isopropyl-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-propan-2-yl-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-propan-2-ylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-isopropyl-chromone Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCN(CC3)CCO)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCN(CC3)CCO)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H29N3O4S/c1-16(2)24-22(26-27-19-5-3-4-6-21(19)34-26)23(32)17-7-8-20(31)18(25(17)33-24)15-29-11-9-28(10-12-29)13-14-30/h3-8,16,30-31H,9-15H2,1-2H3/p+1