4-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(1R)-2-amino-2-keto-1-phenyl-ethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Formula: C19H22FN4O2+ MolecularWeight: 357.401983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)N)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)N)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN4O2/c20-15-6-8-16(9-7-15)22-19(26)24-12-10-23(11-13-24)17(18(21)25)14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H2,21,25)(H,22,26)/p+1/t17-/m1/s1