1-phenyl-N-[[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide

Systemtic Name: 1-phenyl-N-[[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Openeye Name: 1-phenyl-N-[[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide CAS Name: 1-phenyl-N-[[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-iumyl]methyl]methanesulfonamide IUPAC Name: 1-phenyl-N-[[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Traditional Name: 1-phenyl-N-[[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]methanesulfonamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(NN=C2)C3=CC=CC=C3)CNS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(NN=C2)C3=CC=CC=C3)CNS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c28-30(29,18-19-8-3-1-4-9-19)25-14-20-10-7-13-27(16-20)17-22-15-24-26-23(22)21-11-5-2-6-12-21/h1-6,8-9,11-12,15,20,25H,7,10,13-14,16-18H2,(H,24,26)/p+1/t20-/m1/s1