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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC(=CC=C4)OC)[O-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC(=CC=C4)OC)[O-]

InChI

InChI=1S/C23H25NO5/c1-15-6-3-4-11-24(15)13-19-20(25)10-9-18-22(26)21(14-28-23(18)19)29-17-8-5-7-16(12-17)27-2/h5,7-10,12,14-15,25H,3-4,6,11,13H2,1-2H3