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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H25N3O3S MolecularWeight: 435.5386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+]5CCN(CC5)C)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+]5CCN(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