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

Systemtic Name: 3-(2-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(2-methoxyphenyl)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 4-keto-3-(2-methoxyphenyl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C23H25NO4 MolecularWeight: 379.4489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4OC)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4OC)[O-]

InChI

InChI=1S/C23H25NO4/c1-15-6-5-11-24(12-15)13-18-20(25)10-9-17-22(26)19(14-28-23(17)18)16-7-3-4-8-21(16)27-2/h3-4,7-10,14-15,25H,5-6,11-13H2,1-2H3