(2S)-2-[4-(4-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]-N-propyl-propionamide Formula: C17H25FN3O2+ MolecularWeight: 322.397703

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C17H24FN3O2/c1-3-8-19-16(22)13(2)20-9-11-21(12-10-20)17(23)14-4-6-15(18)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H,19,22)/p+1/t13-/m0/s1