2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-1-[2-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethyl]-3-phenyl-5-propan-2-yl-pyrrol-1-ium-1-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-1-[2-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethyl]-3-phenyl-5-propan-2-yl-pyrrol-1-ium-1-carboxamide Openeye Name: 2-(4-fluorophenyl)-1-[2-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)ethyl]-N-(3-hydroxyphenyl)-5-isopropyl-3-phenyl-pyrrol-1-ium-1-carboxamide CAS Name: 2-(4-fluorophenyl)-1-[2-(4-hydroxy-6-oxo-2-oxanyl)ethyl]-N-(3-hydroxyphenyl)-3-phenyl-5-propan-2-yl-1-pyrrol-1-iumcarboxamide IUPAC Name: 2-(4-fluorophenyl)-1-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-N-(3-hydroxyphenyl)-3-phenyl-5-propan-2-ylpyrrol-1-ium-1-carboxamide Traditional Name: 2-(4-fluorophenyl)-1-[2-(4-hydroxy-6-keto-tetrahydropyran-2-yl)ethyl]-N-(3-hydroxyphenyl)-5-isopropyl-3-phenyl-pyrrol-1-ium-1-carboxamide Formula: C33H34FN2O5+ MolecularWeight: 557.631863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C([N+]1(CCC2CC(CC(=O)O2)O)C(=O)NC3=CC(=CC=C3)O)C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC(=C([N+]1(CCC2CC(CC(=O)O2)O)C(=O)NC3=CC(=CC=C3)O)C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C33H33FN2O5/c1-21(2)30-20-29(22-7-4-3-5-8-22)32(23-11-13-24(34)14-12-23)36(30,16-15-28-18-27(38)19-31(39)41-28)33(40)35-25-9-6-10-26(37)17-25/h3-14,17,20-21,27-28,38H,15-16,18-19H2,1-2H3,(H-,35,37,40)/p+1