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

Systemtic Name: N-[[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Openeye Name: N-[[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide CAS Name: N-[[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumyl]methyl]-1-phenylmethanesulfonamide IUPAC Name: N-[[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenylmethanesulfonamide Traditional Name: N-[[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]methyl]-1-phenyl-methanesulfonamide Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C3C(=CC=C2)OCO3)CNS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C3C(=CC=C2)OCO3)CNS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N2O4S/c24-28(25,15-17-6-2-1-3-7-17)22-12-18-8-5-11-23(13-18)14-19-9-4-10-20-21(19)27-16-26-20/h1-4,6-7,9-10,18,22H,5,8,11-16H2/p+1/t18-/m1/s1