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

Systemtic Name: N-[[(3S)-1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-[[2-(2-furyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-[[2-(2-furanyl)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-[[2-(furan-2-yl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-[2-(2-furyl)benzyl]piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2C3=CC=CO3)CNS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2C3=CC=CO3)CNS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O3S/c27-30(28,19-20-8-2-1-3-9-20)25-16-21-10-6-14-26(17-21)18-22-11-4-5-12-23(22)24-13-7-15-29-24/h1-5,7-9,11-13,15,21,25H,6,10,14,16-19H2/p+1/t21-/m1/s1