(3S)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[[1-(2-fluorophenyl)-4-pyrazolyl]methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C19H26FN4+ MolecularWeight: 329.434943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCCN(C2)CC3=CN(N=C3)C4=CC=CC=C4F

Isomeric SMILES

C1CC[NH+](C1)[C@H]2CCCN(C2)CC3=CN(N=C3)C4=CC=CC=C4F

InChI

InChI=1S/C19H25FN4/c20-18-7-1-2-8-19(18)24-14-16(12-21-24)13-22-9-5-6-17(15-22)23-10-3-4-11-23/h1-2,7-8,12,14,17H,3-6,9-11,13,15H2/p+1/t17-/m0/s1