N-[[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC(C2)CNS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2S/c1-17-7-5-11-20(22-17)15-23-12-6-10-19(14-23)13-21-26(24,25)16-18-8-3-2-4-9-18/h2-5,7-9,11,19,21H,6,10,12-16H2,1H3/p+1/t19-/m1/s1