1-phenyl-N-[[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]methanesulfonamide

Systemtic Name: 1-phenyl-N-[[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]methanesulfonamide Openeye Name: 1-phenyl-N-[[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]methanesulfonamide CAS Name: 1-phenyl-N-[[(3S)-1-(3-phenylprop-2-ynyl)-3-piperidin-1-iumyl]methyl]methanesulfonamide IUPAC Name: 1-phenyl-N-[[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]methanesulfonamide Traditional Name: 1-phenyl-N-[[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]methanesulfonamide Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC#CC2=CC=CC=C2)CNS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC#CC2=CC=CC=C2)CNS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c25-27(26,19-21-11-5-2-6-12-21)23-17-22-14-8-16-24(18-22)15-7-13-20-9-3-1-4-10-20/h1-6,9-12,22-23H,8,14-19H2/p+1/t22-/m1/s1