2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(2S)-1-(4-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCC2=CC=CC=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+]([C@H](C(=O)N1)CC(=O)NCCCC2=CC=CC=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O2/c23-19-10-8-18(9-11-19)16-26-14-13-25-22(28)20(26)15-21(27)24-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,24,27)(H,25,28)/p+1/t20-/m0/s1