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

Systemtic Name: (2S)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(4-bromo-2-fluorophenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(4-bromo-2-fluorophenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C13H18BrFN3O+ MolecularWeight: 331.203923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrFN3O/c1-9(18-6-4-16-5-7-18)13(19)17-12-3-2-10(14)8-11(12)15/h2-3,8-9,16H,4-7H2,1H3,(H,17,19)/p+1/t9-/m0/s1