1-[2,4-bis(fluoranyl)phenyl]-2-methyl-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-2-methyl-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide Openeye Name: 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide CAS Name: 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrrolecarboxamide IUPAC Name: 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide Traditional Name: 1-(2,4-difluorophenyl)-2-methyl-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrrole-3-carboxamide Formula: C25H28F2N3O+ MolecularWeight: 424.506126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=C(C=C(C=C2)F)F)C3=CC=CC=C3)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C=C(N1C2=C(C=C(C=C2)F)F)C3=CC=CC=C3)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C25H27F2N3O/c1-18-21(25(31)28-12-15-29-13-6-3-7-14-29)17-24(19-8-4-2-5-9-19)30(18)23-11-10-20(26)16-22(23)27/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3,(H,28,31)/p+1