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

Systemtic Name: (2Z)-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-[(E)-3-phenylprop-2-enylidene]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-[(E)-3-phenylprop-2-enylidene]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-[(E)-3-phenylprop-2-enylidene]coumaran-3-one Formula: C23H26N2O3+2 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3/c1-24-12-14-25(15-13-24)16-19-20(26)11-10-18-22(27)21(28-23(18)19)9-5-8-17-6-3-2-4-7-17/h2-11,26H,12-16H2,1H3/p+2/b8-5+,21-9-