(3S)-1-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C21H30FN4+ MolecularWeight: 357.488103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CN3CCCC(C3)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CN3CCC[C@@H](C3)[NH+]4CCCC4

InChI

InChI=1S/C21H29FN4/c1-16-21(17(2)26(23-16)19-9-7-18(22)8-10-19)15-24-11-5-6-20(14-24)25-12-3-4-13-25/h7-10,20H,3-6,11-15H2,1-2H3/p+1/t20-/m0/s1