1-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methyl]methanesulfonamide

Systemtic Name: 1-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methyl]methanesulfonamide Openeye Name: 1-phenyl-N-[[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methyl]methanesulfonamide CAS Name: 1-phenyl-N-[[(3S)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]methyl]methanesulfonamide IUPAC Name: 1-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methyl]methanesulfonamide Traditional Name: 1-phenyl-N-[[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methyl]methanesulfonamide Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2S/c23-25(24,16-17-6-2-1-3-7-17)21-13-19-9-5-11-22(15-19)14-18-8-4-10-20-12-18/h1-4,6-8,10,12,19,21H,5,9,11,13-16H2/p+1/t19-/m1/s1