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

Systemtic Name: (2Z)-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-(phenylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-2-benzylidene-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-(phenylmethylene)-3-benzofuranone IUPAC Name: (2Z)-2-benzylidene-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-benzal-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumaran-3-one Formula: C21H24N2O3+2 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-22-9-11-23(12-10-22)14-17-18(24)8-7-16-20(25)19(26-21(16)17)13-15-5-3-2-4-6-15/h2-8,13,24H,9-12,14H2,1H3/p+2/b19-13-