(2S)-N-(2-azanyl-4-fluoranyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-azanyl-4-fluoranyl-phenyl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-amino-4-fluoro-phenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(2-amino-4-fluorophenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-amino-4-fluorophenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-amino-4-fluoro-phenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C14H21FN3O+ MolecularWeight: 266.334443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)N)[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)N)[NH+]2CCCCC2

InChI

InChI=1S/C14H20FN3O/c1-10(18-7-3-2-4-8-18)14(19)17-13-6-5-11(15)9-12(13)16/h5-6,9-10H,2-4,7-8,16H2,1H3,(H,17,19)/p+1/t10-/m0/s1