(5S)-4-[(3-methyl-4-phenylmethoxy-phenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione

Systemtic Name: (5S)-4-[(3-methyl-4-phenylmethoxy-phenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[(4-benzyloxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-1-[3-(4-morpholin-4-iumyl)propyl]-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-4-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[(4-benzoxy-3-methyl-phenyl)-hydroxy-methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C31H34N3O5+ MolecularWeight: 528.61876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CN=CC=C4)O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2[C@@H](N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CN=CC=C4)O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O5/c1-22-19-24(10-11-26(22)39-21-23-7-3-2-4-8-23)29(35)27-28(25-9-5-12-32-20-25)34(31(37)30(27)36)14-6-13-33-15-17-38-18-16-33/h2-5,7-12,19-20,28,35H,6,13-18,21H2,1H3/p+1/t28-/m0/s1