3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-(trifluoromethyl)chromone Formula: C25H25F3N3O3S+ MolecularWeight: 504.54451

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)CN5CC[NH+](CC5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)CN5CC[NH+](CC5)C)O

InChI

InChI=1S/C25H24F3N3O3S/c1-3-14-12-15-21(33)19(24-29-17-6-4-5-7-18(17)35-24)23(25(26,27)28)34-22(15)16(20(14)32)13-31-10-8-30(2)9-11-31/h4-7,12,32H,3,8-11,13H2,1-2H3/p+1