2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Formula: C22H29FN3O+ MolecularWeight: 370.483563

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H28FN3O/c1-2-18(19-6-4-3-5-7-19)16-24-22(27)17-25-12-14-26(15-13-25)21-10-8-20(23)9-11-21/h3-11,18H,2,12-17H2,1H3,(H,24,27)/p+1/t18-/m1/s1