4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate

Systemtic Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 2-keto-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-phenyl-chromen-6-olate Formula: C27H26N2O4 MolecularWeight: 442.50634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)[O-])C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4/c1-32-22-9-7-21(8-10-22)29-13-11-28(12-14-29)18-20-15-27(31)33-26-17-23(25(30)16-24(20)26)19-5-3-2-4-6-19/h2-10,15-17,30H,11-14,18H2,1H3