(2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-[(3-methyl-2-thienyl)methylene]benzofuran-3-one CAS Name: (2Z)-7-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-6-hydroxy-2-[(3-methyl-2-thiophenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-[(3-methyl-2-thienyl)methylene]coumaran-3-one Formula: C21H26N2O3S+2 MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CS4)C)C3=O)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=C(C=CS4)C)/C3=O)O

InChI

InChI=1S/C21H24N2O3S/c1-3-22-7-9-23(10-8-22)13-16-17(24)5-4-15-20(25)18(26-21(15)16)12-19-14(2)6-11-27-19/h4-6,11-12,24H,3,7-10,13H2,1-2H3/p+2/b18-12-