(2S)-N-(3-chloranyl-2-fluoranyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(3-chloranyl-2-fluoranyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(3-chloro-2-fluoro-phenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(3-chloro-2-fluorophenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(3-chloro-2-fluorophenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-chloro-2-fluoro-phenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C13H18ClFN3O+ MolecularWeight: 286.752923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=CC=C1)Cl)F)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C(=CC=C1)Cl)F)N2CC[NH2+]CC2

InChI

InChI=1S/C13H17ClFN3O/c1-9(18-7-5-16-6-8-18)13(19)17-11-4-2-3-10(14)12(11)15/h2-4,9,16H,5-8H2,1H3,(H,17,19)/p+1/t9-/m0/s1