3-(3,4-dimethoxyphenyl)-4-methyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-2-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-[2-(1-piperidin-1-iumyl)ethoxy]-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-(2-piperidin-1-ium-1-ylethoxy)coumarin Formula: C25H30NO5+ MolecularWeight: 424.5094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC[NH+]3CCCCC3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC[NH+]3CCCCC3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H29NO5/c1-17-20-9-8-19(30-14-13-26-11-5-4-6-12-26)16-22(20)31-25(27)24(17)18-7-10-21(28-2)23(15-18)29-3/h7-10,15-16H,4-6,11-14H2,1-3H3/p+1