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

Systemtic Name: N-[[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: 1-phenyl-N-[[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methyl]methanesulfonamide CAS Name: N-[[(3S)-1-(4-oxanyl)-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: 1-phenyl-N-[[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methyl]methanesulfonamide Formula: C18H29N2O3S+ MolecularWeight: 353.49946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCOCC2)CNS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCOCC2)CNS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N2O3S/c21-24(22,15-16-5-2-1-3-6-16)19-13-17-7-4-10-20(14-17)18-8-11-23-12-9-18/h1-3,5-6,17-19H,4,7-15H2/p+1/t17-/m1/s1