(2S)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Systemtic Name: (2S)-2-[4-(2-fluorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: (2S)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-isopropylpyrazol-3-yl)propanamide CAS Name: (2S)-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: (2S)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: (2S)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-isopropylpyrazol-3-yl)propionamide Formula: C20H27FN5O2+ MolecularWeight: 388.459083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NN1C(C)C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H26FN5O2/c1-14(2)26-18(8-9-22-26)23-19(27)15(3)24-10-12-25(13-11-24)20(28)16-6-4-5-7-17(16)21/h4-9,14-15H,10-13H2,1-3H3,(H,23,27)/p+1/t15-/m0/s1