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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)C(F)(F)F)N)[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)C(F)(F)F)N)[NH+]2CCCC2

InChI

InChI=1S/C14H18F3N3O/c1-9(20-6-2-3-7-20)13(21)19-12-5-4-10(8-11(12)18)14(15,16)17/h4-5,8-9H,2-3,6-7,18H2,1H3,(H,19,21)/p+1/t9-/m0/s1