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

Systemtic Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[4-[(3-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[4-(3-fluorobenzyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide Formula: C21H27FN3O+ MolecularWeight: 356.456983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN3O/c1-17(19-7-3-2-4-8-19)23-21(26)16-25-12-10-24(11-13-25)15-18-6-5-9-20(22)14-18/h2-9,14,17H,10-13,15-16H2,1H3,(H,23,26)/p+1/t17-/m0/s1