N-[2-(4-fluorophenyl)ethyl]-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]-N-[2-(4-fluorophenyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(benzylamino)-2-keto-ethyl]-N-[2-(4-fluorophenyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C22H28FN4O2+ MolecularWeight: 399.481723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)NCCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN4O2/c23-20-8-6-18(7-9-20)10-11-24-22(29)27-14-12-26(13-15-27)17-21(28)25-16-19-4-2-1-3-5-19/h1-9H,10-17H2,(H,24,29)(H,25,28)/p+1