3-(2,5-dimethoxyphenyl)-4-methyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(2,5-dimethoxyphenyl)-2-keto-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C24H27NO5 MolecularWeight: 409.47488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)[O-])C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)[O-])C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C24H27NO5/c1-15-17-8-9-20(26)19(14-25-11-5-4-6-12-25)23(17)30-24(27)22(15)18-13-16(28-2)7-10-21(18)29-3/h7-10,13,26H,4-6,11-12,14H2,1-3H3