4-[2-methyl-4-(2-methylpropoxy)phenyl]carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-[2-methyl-4-(2-methylpropoxy)phenyl]carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-(4-isobutoxy-2-methyl-benzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[[2-methyl-4-(2-methylpropoxy)phenyl]-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[2-methyl-4-(2-methylpropoxy)benzoyl]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-(4-isobutoxy-2-methyl-benzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C28H37N3O5+2 MolecularWeight: 495.61048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C)C)C(=O)C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=C[NH+]=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(C)C)C(=O)C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=C[NH+]=CC=C4

InChI

InChI=1S/C28H35N3O5/c1-19(2)18-36-22-7-8-23(20(3)16-22)26(32)24-25(21-6-4-9-29-17-21)31(28(34)27(24)33)11-5-10-30-12-14-35-15-13-30/h4,6-9,16-17,19,24-25H,5,10-15,18H2,1-3H3/p+2