(2-oxidanylidene-4-propyl-chromen-7-yl) 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: (2-oxo-4-propyl-chromen-7-yl) 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-7-yl) 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid (2-keto-4-propyl-chromen-7-yl) ester Formula: C22H23N2O4+ MolecularWeight: 379.42902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C22H22N2O4/c1-2-6-15-13-20(25)28-19-14-16(8-9-17(15)19)27-22(26)18-7-5-10-23-21(18)24-11-3-4-12-24/h5,7-10,13-14H,2-4,6,11-12H2,1H3/p+1