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

Systemtic Name: N-[[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCCC(C3)CNS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)CNS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H34N4O2S/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/h1,3-4,8-9,15,20-21,25H,2,5-7,10-14,16-18H2,(H,24,26)/p+1/t20-/m1/s1