(2S)-2-piperazin-4-ium-1-yl-N-[4-(trifluoromethyl)phenyl]propanamide

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-N-[4-(trifluoromethyl)phenyl]propanamide Openeye Name: (2S)-2-piperazin-4-ium-1-yl-N-[4-(trifluoromethyl)phenyl]propanamide CAS Name: (2S)-2-(1-piperazin-4-iumyl)-N-[4-(trifluoromethyl)phenyl]propanamide IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-N-[4-(trifluoromethyl)phenyl]propanamide Traditional Name: (2S)-2-piperazin-4-ium-1-yl-N-[4-(trifluoromethyl)phenyl]propionamide Formula: C14H19F3N3O+ MolecularWeight: 302.31537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18F3N3O/c1-10(20-8-6-18-7-9-20)13(21)19-12-4-2-11(3-5-12)14(15,16)17/h2-5,10,18H,6-9H2,1H3,(H,19,21)/p+1/t10-/m0/s1