6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-phenyl-chromene-5,7-diolate

Systemtic Name: 6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-phenyl-chromene-5,7-diolate Openeye Name: 6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-phenyl-chromene-5,7-diolate CAS Name: 6,8-bis[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-2-phenyl-1-benzopyran-5,7-diolate IUPAC Name: 6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-phenylchromene-5,7-diolate Traditional Name: 4-keto-6,8-bis[(4-methylpiperazin-1-ium-1-yl)methyl]-2-phenyl-chromene-5,7-diolate Formula: C27H34N4O4 MolecularWeight: 478.58326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C(=C3C(=C2[O-])C(=O)C=C(O3)C4=CC=CC=C4)C[NH+]5CCN(CC5)C)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C(=C3C(=C2[O-])C(=O)C=C(O3)C4=CC=CC=C4)C[NH+]5CCN(CC5)C)[O-]

InChI

InChI=1S/C27H34N4O4/c1-28-8-12-30(13-9-28)17-20-25(33)21(18-31-14-10-29(2)11-15-31)27-24(26(20)34)22(32)16-23(35-27)19-6-4-3-5-7-19/h3-7,16,33-34H,8-15,17-18H2,1-2H3