3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(3-methoxyphenoxy)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 4-keto-3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C22H24N2O5 MolecularWeight: 396.43636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC(=CC=C4)OC)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC(=CC=C4)OC)[O-]

InChI

InChI=1S/C22H24N2O5/c1-23-8-10-24(11-9-23)13-18-19(25)7-6-17-21(26)20(14-28-22(17)18)29-16-5-3-4-15(12-16)27-2/h3-7,12,14,25H,8-11,13H2,1-2H3