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

Systemtic Name: (2S)-2-(4-cyclopentylcarbonylpiperazin-1-ium-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide Openeye Name: (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide CAS Name: (2S)-2-[4-[cyclopentyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[2-(4-fluorophenyl)ethyl]propanamide IUPAC Name: (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide Traditional Name: (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]propionamide Formula: C21H31FN3O2+ MolecularWeight: 376.488143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)C(=O)C3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)C(=O)C3CCCC3

InChI

InChI=1S/C21H30FN3O2/c1-16(20(26)23-11-10-17-6-8-19(22)9-7-17)24-12-14-25(15-13-24)21(27)18-4-2-3-5-18/h6-9,16,18H,2-5,10-15H2,1H3,(H,23,26)/p+1/t16-/m0/s1