(5S)-4-[(3-methyl-4-propan-2-yloxy-phenyl)-oxidanyl-methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolidine-2,3-dione

Systemtic Name: (5S)-4-[(3-methyl-4-propan-2-yloxy-phenyl)-oxidanyl-methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[hydroxy-(4-isopropoxy-3-methyl-phenyl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolidine-2,3-dione CAS Name: (5S)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-phenylpyrrolidine-2,3-dione IUPAC Name: (5S)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(2-morpholin-4-ium-4-ylethyl)-5-phenylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[hydroxy-(4-isopropoxy-3-methyl-phenyl)methylene]-1-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolidine-2,3-quinone Formula: C27H33N2O5+ MolecularWeight: 465.56132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2[C@@H](N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC=CC=C4)O)OC(C)C

InChI

InChI=1S/C27H32N2O5/c1-18(2)34-22-10-9-21(17-19(22)3)25(30)23-24(20-7-5-4-6-8-20)29(27(32)26(23)31)12-11-28-13-15-33-16-14-28/h4-10,17-18,24,30H,11-16H2,1-3H3/p+1/t24-/m0/s1