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

Systemtic Name: 3-(4-methoxycarbonylphenoxy)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-methoxycarbonylphenoxy)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-methoxycarbonylphenoxy)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxycarbonylphenoxy)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(4-carbomethoxyphenoxy)-4-keto-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H25NO6 MolecularWeight: 423.4584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)[O-]

InChI

InChI=1S/C24H25NO6/c1-15-4-3-11-25(12-15)13-19-20(26)10-9-18-22(27)21(14-30-23(18)19)31-17-7-5-16(6-8-17)24(28)29-2/h5-10,14-15,26H,3-4,11-13H2,1-2H3