(2S)-N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H25FN4O+2 MolecularWeight: 392.469203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H23FN4O/c24-19-9-11-20(12-10-19)26-23(29)22(18-6-2-1-3-7-18)28-16-14-27(15-17-28)21-8-4-5-13-25-21/h1-13,22H,14-17H2,(H,26,29)/p+2/t22-/m0/s1