methyl (2S)-1-(2-morpholin-4-yl-6-phenyl-pyridin-1-ium-3-yl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-(2-morpholin-4-yl-6-phenyl-pyridin-1-ium-3-yl)carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(2-morpholino-6-phenyl-pyridin-1-ium-3-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[2-(4-morpholinyl)-6-phenyl-3-pyridin-1-iumyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(2-morpholin-4-yl-6-phenylpyridin-1-ium-3-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-morpholino-6-phenyl-pyridin-1-ium-3-carbonyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C22H26N3O4+ MolecularWeight: 396.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=C([NH+]=C(C=C2)C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C2=C([NH+]=C(C=C2)C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H25N3O4/c1-28-22(27)19-8-5-11-25(19)21(26)17-9-10-18(16-6-3-2-4-7-16)23-20(17)24-12-14-29-15-13-24/h2-4,6-7,9-10,19H,5,8,11-15H2,1H3/p+1/t19-/m0/s1