3-(2-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(2-methoxyphenoxy)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 4-keto-3-(2-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4OC)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4OC)[O-]

InChI

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