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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methyl-3H-1,3-thiazol-2-ylidene)chromene-2,7-dione Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methyl-3H-thiazol-2-ylidene)chromene-2,7-dione CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(4-methyl-3H-thiazol-2-ylidene)-1-benzopyran-2,7-dione IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methyl-3H-1,3-thiazol-2-ylidene)chromene-2,7-dione Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methyl-4-thiazolin-2-ylidene)chromene-2,7-quinone Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C2C=C3C=CC(=O)C(=C3OC2=O)C[NH+]4CCN(CC4)CCO)N1

Isomeric SMILES

CC1=CSC(=C2C=C3C=CC(=O)C(=C3OC2=O)C[NH+]4CCN(CC4)CCO)N1

InChI

InChI=1S/C20H23N3O4S/c1-13-12-28-19(21-13)15-10-14-2-3-17(25)16(18(14)27-20(15)26)11-23-6-4-22(5-7-23)8-9-24/h2-3,10,12,21,24H,4-9,11H2,1H3/p+1