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

Systemtic Name: N-[[(3S)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-(1-benzothiophen-2-ylmethyl)-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C22H27N2O2S2+ MolecularWeight: 415.59198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3S2)CNS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3S2)CNS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N2O2S2/c25-28(26,17-18-7-2-1-3-8-18)23-14-19-9-6-12-24(15-19)16-21-13-20-10-4-5-11-22(20)27-21/h1-5,7-8,10-11,13,19,23H,6,9,12,14-17H2/p+1/t19-/m1/s1