(2S)-2-[4-(4-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-quinolin-5-yl-propanamide

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-quinolin-5-yl-propanamide Openeye Name: (2S)-2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propanamide CAS Name: (2S)-2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(5-quinolinyl)propanamide IUPAC Name: (2S)-2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]-N-quinolin-5-ylpropanamide Traditional Name: (2S)-2-[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)propionamide Formula: C23H24FN4O2+ MolecularWeight: 407.460663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CC=N2)[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O2/c1-16(22(29)26-21-6-2-5-20-19(21)4-3-11-25-20)27-12-14-28(15-13-27)23(30)17-7-9-18(24)10-8-17/h2-11,16H,12-15H2,1H3,(H,26,29)/p+1/t16-/m0/s1