2-(1-oxidanidylpyridin-1-ium-2-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]oxirane-2-carboxylic acid

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]oxirane-2-carboxylic acid Openeye Name: 3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxirane-2-carboxylic acid CAS Name: 2-(1-oxido-2-pyridin-1-iumyl)-3-[3-(6-propan-2-yl-8-quinolinyl)phenyl]-2-oxiranecarboxylic acid IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]oxirane-2-carboxylic acid Traditional Name: 3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxirane-2-carboxylic acid Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4C(O4)(C5=CC=CC=[N+]5[O-])C(=O)O

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4C(O4)(C5=CC=CC=[N+]5[O-])C(=O)O

InChI

InChI=1S/C26H22N2O4/c1-16(2)20-14-18-9-6-11-27-23(18)21(15-20)17-7-5-8-19(13-17)24-26(32-24,25(29)30)22-10-3-4-12-28(22)31/h3-16,24H,1-2H3,(H,29,30)