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

Systemtic Name: (2Z)-2-[(2-methylphenyl)methylidene]-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-(o-tolylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-[(2-methylphenyl)methylidene]-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-[(2-methylphenyl)methylidene]-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-(2-methylbenzylidene)-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumaran-3-one Formula: C22H26N2O3+2 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C22H24N2O3/c1-15-5-3-4-6-16(15)13-20-21(26)17-7-8-19(25)18(22(17)27-20)14-24-11-9-23(2)10-12-24/h3-8,13,25H,9-12,14H2,1-2H3/p+2/b20-13-