[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone

Systemtic Name: [4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: [4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone CAS Name: [4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: [4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-(1-phenylpyrazol-4-yl)methanone Formula: C21H22FN4O+ MolecularWeight: 365.423983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)C3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21FN4O/c22-20-9-5-4-6-17(20)15-24-10-12-25(13-11-24)21(27)18-14-23-26(16-18)19-7-2-1-3-8-19/h1-9,14,16H,10-13,15H2/p+1