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

Systemtic Name: (2Z)-2-[(4-ethylphenyl)methylidene]-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[(4-ethylphenyl)methylene]-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-one CAS Name: (2Z)-2-[(4-ethylphenyl)methylidene]-6-hydroxy-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofuranone IUPAC Name: (2Z)-2-[(4-ethylphenyl)methylidene]-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-(4-ethylbenzylidene)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumaran-3-one Formula: C23H28N2O3+2 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C23H26N2O3/c1-3-16-4-6-17(7-5-16)14-21-22(27)18-8-9-20(26)19(23(18)28-21)15-25-12-10-24(2)11-13-25/h4-9,14,26H,3,10-13,15H2,1-2H3/p+2/b21-14-