(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C25H26N2O5 MolecularWeight: 434.48434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)C[NH+]5CCN(CC5)CCO)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=CC=CC=C4O3)/O2)C[NH+]5CCN(CC5)CCO)[O-]

InChI

InChI=1S/C25H26N2O5/c1-16-12-20(29)19(15-27-8-6-26(7-9-27)10-11-28)25-23(16)24(30)22(32-25)14-18-13-17-4-2-3-5-21(17)31-18/h2-5,12-14,28-29H,6-11,15H2,1H3/b22-14-