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

Systemtic Name: 3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 7-hydroxy-3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one CAS Name: 7-hydroxy-3-(3-methoxyphenoxy)-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one Traditional Name: 7-hydroxy-3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromone Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC(=CC=C4)OC)O

Isomeric SMILES

C[NH+]1CCN(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/p+1