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

Systemtic Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-(2-thienylmethylene)benzofuran-3-one CAS Name: (2Z)-7-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-6-hydroxy-2-(thiophen-2-ylmethylidene)-3-benzofuranone IUPAC Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-(2-thenylidene)coumaran-3-one Formula: C20H24N2O3S+2 MolecularWeight: 372.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CS4)/C3=O)O

InChI

InChI=1S/C20H22N2O3S/c1-2-21-7-9-22(10-8-21)13-16-17(23)6-5-15-19(24)18(25-20(15)16)12-14-4-3-11-26-14/h3-6,11-12,23H,2,7-10,13H2,1H3/p+2/b18-12-