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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=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/c1-15-4-3-5-16(12-15)13-20-21(26)17-6-7-19(25)18(22(17)27-20)14-24-10-8-23(2)9-11-24/h3-7,12-13,25H,8-11,14H2,1-2H3/p+2/b20-13-