4-(3-methoxyphenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(3-methoxyphenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-(3-methoxybenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: 4-[(3-methoxyphenyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: 4-(3-methoxybenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: 4-m-anisoyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C24H28N3O5+ MolecularWeight: 438.49622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O5/c1-31-19-7-2-5-17(15-19)22(28)20-21(18-6-3-8-25-16-18)27(24(30)23(20)29)10-4-9-26-11-13-32-14-12-26/h2-3,5-8,15-16,20-21H,4,9-14H2,1H3/p+1