N-(4-fluorophenyl)-4-[(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-fluorophenyl)-4-[(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1S)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(4-fluorophenyl)-4-[(2S)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(1S)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Formula: C22H27FN5O3+ MolecularWeight: 428.479883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN5O3/c1-16(20(29)26-21(30)24-15-17-5-3-2-4-6-17)27-11-13-28(14-12-27)22(31)25-19-9-7-18(23)8-10-19/h2-10,16H,11-15H2,1H3,(H,25,31)(H2,24,26,29,30)/p+1/t16-/m0/s1