[(3S)-1-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]carbonyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]carbonyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-oxomethyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[5-(2-fluorophenyl)-1H-pyrazole-4-carbonyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C24H28FN4O+ MolecularWeight: 407.503723

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=C(NN=C3)C4=CC=CC=C4F

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=C(NN=C3)C4=CC=CC=C4F

InChI

InChI=1S/C24H27FN4O/c1-28(15-13-18-8-3-2-4-9-18)19-10-7-14-29(17-19)24(30)21-16-26-27-23(21)20-11-5-6-12-22(20)25/h2-6,8-9,11-12,16,19H,7,10,13-15,17H2,1H3,(H,26,27)/p+1/t19-/m0/s1