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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-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(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)CN5CC[NH+](CC5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)CN5CC[NH+](CC5)C)O

InChI

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