(2Z)-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-6-oxidanyl-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one

Systemtic Name: (2Z)-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-6-oxidanyl-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-2-(2-thienylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-methyl-2-(thiophen-2-ylmethylidene)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-2-(2-thenylidene)coumaran-3-one Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CS3)O2)C[NH+]4CCN(CC4)CCO)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=CS3)/O2)C[NH+]4CCN(CC4)CCO)O

InChI

InChI=1S/C21H24N2O4S/c1-14-11-17(25)16(13-23-6-4-22(5-7-23)8-9-24)21-19(14)20(26)18(27-21)12-15-3-2-10-28-15/h2-3,10-12,24-25H,4-9,13H2,1H3/p+1/b18-12-