(3S)-3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidin-1-ium

Systemtic Name: (3S)-3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidin-1-ium Openeye Name: (3S)-3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidin-1-ium CAS Name: (3S)-3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidin-1-ium IUPAC Name: (3S)-3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidin-1-ium Traditional Name: (3S)-3-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidin-1-ium Formula: C23H27FN3+ MolecularWeight: 364.478983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)C3=C(C=NN3)C4=CC=CC=C4F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)C3=C(C=NN3)C4=CC=CC=C4F

InChI

InChI=1S/C23H26FN3/c24-22-13-5-4-12-20(22)21-16-25-26-23(21)19-11-7-15-27(17-19)14-6-10-18-8-2-1-3-9-18/h1-5,8-9,12-13,16,19H,6-7,10-11,14-15,17H2,(H,25,26)/p+1/t19-/m0/s1