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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromone Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC[NH+](CC3)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC[NH+](CC3)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H25N3O3S/c1-3-19-21(24-25-17-6-4-5-7-20(17)31-24)22(29)15-8-9-18(28)16(23(15)30-19)14-27-12-10-26(2)11-13-27/h4-9,28H,3,10-14H2,1-2H3/p+1