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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxo-chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxochromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-chromen-7-olate Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-2-16-13-17-23(31)19(25-26-20-5-3-4-6-21(20)33-25)15-32-24(17)18(22(16)30)14-28-9-7-27(8-10-28)11-12-29/h3-6,13,15,29-30H,2,7-12,14H2,1H3