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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-propan-2-ylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromone Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC[NH+](CC3)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC[NH+](CC3)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N3O3S/c1-15(2)23-21(25-26-18-6-4-5-7-20(18)32-25)22(30)16-8-9-19(29)17(24(16)31-23)14-28-12-10-27(3)11-13-28/h4-9,15,29H,10-14H2,1-3H3/p+1