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

Systemtic Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-(phenylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-2-benzylidene-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-benzofuran-3-one CAS Name: (2Z)-7-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-6-hydroxy-2-(phenylmethylene)-3-benzofuranone IUPAC Name: (2Z)-2-benzylidene-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-1-benzofuran-3-one Traditional Name: (2Z)-2-benzal-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-coumaran-3-one Formula: C22H26N2O3+2 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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