(2S)-2-chloranyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-2-chloranyl-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-2-chloro-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-2-chloro-N-(4-fluorophenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-2-chloro-N-(4-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-2-chloro-N-(4-fluorophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C16H18ClFN5O+ MolecularWeight: 350.798423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C(=O)NC2=CC=C(C=C2)F)Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C(=O)NC2=CC=C(C=C2)F)Cl)C3=NC=CC=N3

InChI

InChI=1S/C16H17ClFN5O/c17-14(15(24)21-13-4-2-12(18)3-5-13)22-8-10-23(11-9-22)16-19-6-1-7-20-16/h1-7,14H,8-11H2,(H,21,24)/p+1/t14-/m1/s1