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

Systemtic Name: (5S)-4-[(4-butoxyphenyl)-oxidanyl-methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[(4-butoxyphenyl)-hydroxymethylidene]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-4-[(4-butoxyphenyl)-hydroxymethylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C26H32N3O5+ MolecularWeight: 466.54938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CN=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=C2[C@@H](N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CN=CC=C4)O

InChI

InChI=1S/C26H31N3O5/c1-2-3-15-34-21-8-6-19(7-9-21)24(30)22-23(20-5-4-10-27-18-20)29(26(32)25(22)31)12-11-28-13-16-33-17-14-28/h4-10,18,23,30H,2-3,11-17H2,1H3/p+1/t23-/m0/s1