3-(3H-1,3-benzothiazol-2-ylidene)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromene-2,7-dione

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromene-2,7-dione Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromene-2,7-dione CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2,7-dione IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromene-2,7-dione Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromene-2,7-quinone Formula: C23H24N3O4S+ MolecularWeight: 438.51936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O)CCO

InChI

InChI=1S/C23H23N3O4S/c27-12-11-25-7-9-26(10-8-25)14-17-19(28)6-5-15-13-16(23(29)30-21(15)17)22-24-18-3-1-2-4-20(18)31-22/h1-6,13,24,27H,7-12,14H2/p+1