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

Systemtic Name: 3-(2-methoxyphenoxy)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-methoxyphenoxy)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(2-methoxyphenoxy)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxyphenoxy)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 4-keto-3-(2-methoxyphenoxy)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4OC)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4OC)[O-]

InChI

InChI=1S/C23H25NO5/c1-15-6-5-11-24(12-15)13-17-18(25)10-9-16-22(26)21(14-28-23(16)17)29-20-8-4-3-7-19(20)27-2/h3-4,7-10,14-15,25H,5-6,11-13H2,1-2H3