(5S)-4-[(4-bromophenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(4-propoxyphenyl)pyrrolidine-2,3-dione

Systemtic Name: (5S)-4-[(4-bromophenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(4-propoxyphenyl)pyrrolidine-2,3-dione Openeye Name: (5S)-4-[(4-bromophenyl)-hydroxy-methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(4-propoxyphenyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[(4-bromophenyl)-hydroxymethylidene]-1-[3-(4-morpholin-4-iumyl)propyl]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(4-propoxyphenyl)pyrrolidine-2,3-dione Traditional Name: (5S)-4-[(4-bromophenyl)-hydroxy-methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(4-propoxyphenyl)pyrrolidine-2,3-quinone Formula: C27H32BrN2O5+ MolecularWeight: 544.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C27H31BrN2O5/c1-2-16-35-22-10-6-19(7-11-22)24-23(25(31)20-4-8-21(28)9-5-20)26(32)27(33)30(24)13-3-12-29-14-17-34-18-15-29/h4-11,24,31H,2-3,12-18H2,1H3/p+1/t24-/m0/s1