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

Systemtic Name: (2Z)-2-[(3-chlorophenyl)methylidene]-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[(3-chlorophenyl)methylene]-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-benzofuran-3-one CAS Name: (2Z)-2-[(3-chlorophenyl)methylidene]-7-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-6-hydroxy-3-benzofuranone IUPAC Name: (2Z)-2-[(3-chlorophenyl)methylidene]-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-1-benzofuran-3-one Traditional Name: (2Z)-2-(3-chlorobenzylidene)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-coumaran-3-one Formula: C22H25ClN2O3+2 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)Cl)C3=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O3/c1-2-24-8-10-25(11-9-24)14-18-19(26)7-6-17-21(27)20(28-22(17)18)13-15-4-3-5-16(23)12-15/h3-7,12-13,26H,2,8-11,14H2,1H3/p+2/b20-13-