(2S)-N-[2,6-bis(fluoranyl)phenyl]-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[2,6-bis(fluoranyl)phenyl]-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2,6-difluorophenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2,6-difluorophenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2,6-difluorophenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2,6-difluorophenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C13H18F2N3O+ MolecularWeight: 270.298326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC=C1F)F)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC=C1F)F)N2CC[NH2+]CC2

InChI

InChI=1S/C13H17F2N3O/c1-9(18-7-5-16-6-8-18)13(19)17-12-10(14)3-2-4-11(12)15/h2-4,9,16H,5-8H2,1H3,(H,17,19)/p+1/t9-/m0/s1