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

Systemtic Name: N-[[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-(3-furylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-(3-furanylmethyl)-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-(3-furfuryl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C18H25N2O3S+ MolecularWeight: 349.4677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3S/c21-24(22,15-16-5-2-1-3-6-16)19-11-17-7-4-9-20(12-17)13-18-8-10-23-14-18/h1-3,5-6,8,10,14,17,19H,4,7,9,11-13,15H2/p+1/t17-/m1/s1