(2S)-N-(2-chloranyl-4-fluoranyl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-chloranyl-4-fluoranyl-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-chloro-4-fluoro-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-chloro-4-fluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-chloro-4-fluoro-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C18H21ClFN4O+ MolecularWeight: 363.836943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C18H20ClFN4O/c1-13(18(25)22-16-6-5-14(20)12-15(16)19)23-8-10-24(11-9-23)17-4-2-3-7-21-17/h2-7,12-13H,8-11H2,1H3,(H,22,25)/p+1/t13-/m0/s1