(2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenethyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenethylpiperazin-1-ium-1-yl)propionamide Formula: C23H31FN3O+ MolecularWeight: 384.510143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H30FN3O/c1-19(23(28)25-13-11-21-7-9-22(24)10-8-21)27-17-15-26(16-18-27)14-12-20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3,(H,25,28)/p+1/t19-/m0/s1