(3S)-1-propyl-3-[3-(trideuteriomethylsulfonyl)phenyl]piperidin-1-ium chloride

Systemtic Name: (3S)-1-propyl-3-[3-(trideuteriomethylsulfonyl)phenyl]piperidin-1-ium chloride Openeye Name: (3S)-1-propyl-3-[3-(trideuteriomethylsulfonyl)phenyl]piperidin-1-ium chloride CAS Name: (3S)-1-propyl-3-[3-(trideuteriomethylsulfonyl)phenyl]piperidin-1-ium chloride IUPAC Name: (3S)-1-propyl-3-[3-(trideuteriomethylsulfonyl)phenyl]piperidin-1-ium chloride Traditional Name: (3S)-1-propyl-3-[3-(trideuteriomethylsulfonyl)phenyl]piperidin-1-ium chloride Formula: C15H24ClNO2S MolecularWeight: 321.8857

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCCC(C1)C2=CC(=CC=C2)S(=O)(=O)C.[Cl-]

Isomeric SMILES

[2H][13C]([2H])([2H])S(=O)(=O)C1=CC=CC(=C1)[C@@H]2CCC[NH+](C2)CCC.[Cl-]

InChI

InChI=1S/C15H23NO2S.ClH/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)19(2,17)18;/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3;1H/t14-;/m1./s1/i2+1D3;