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

Systemtic Name: 6-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-olate Openeye Name: 6-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-olate CAS Name: 6-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-8-methyl-3-(4-methyl-2-thiazolyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 6-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-8-methyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-olate Traditional Name: 6-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-8-methyl-3-(4-methylthiazol-2-yl)chromen-7-olate Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C2=COC3=C(C(=C(C=C3C2=O)C[NH+]4CCN(CC4)CCO)[O-])C

Isomeric SMILES

CC1=CSC(=N1)C2=COC3=C(C(=C(C=C3C2=O)C[NH+]4CCN(CC4)CCO)[O-])C

InChI

InChI=1S/C21H25N3O4S/c1-13-12-29-21(22-13)17-11-28-20-14(2)18(26)15(9-16(20)19(17)27)10-24-5-3-23(4-6-24)7-8-25/h9,11-12,25-26H,3-8,10H2,1-2H3