(5S)-4-[(3-methoxyphenyl)-oxidanyl-methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione

Systemtic Name: (5S)-4-[(3-methoxyphenyl)-oxidanyl-methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[hydroxy-(3-methoxyphenyl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[hydroxy-(3-methoxyphenyl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C23H26N3O5+ MolecularWeight: 424.46964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CN=CC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=C2[C@@H](N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CN=CC=C4)O

InChI

InChI=1S/C23H25N3O5/c1-30-18-6-2-4-16(14-18)21(27)19-20(17-5-3-7-24-15-17)26(23(29)22(19)28)9-8-25-10-12-31-13-11-25/h2-7,14-15,20,27H,8-13H2,1H3/p+1/t20-/m0/s1