2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 2-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C31H30FN4O+ MolecularWeight: 493.594503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C6=CC=CC=C6F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C6=CC=CC=C6F

InChI

InChI=1S/C31H29FN4O/c32-27-12-6-7-13-29(27)35-18-16-34(17-19-35)22-31(37)36-30(24-9-2-1-3-10-24)21-28(33-36)26-15-14-23-8-4-5-11-25(23)20-26/h1-15,20,30H,16-19,21-22H2/p+1/t30-/m0/s1