(3S)-1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[2-(2,5-dimethylphenyl)sulfonylethyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[2-(2,5-dimethylphenyl)sulfonylethyl]piperidin-1-ium-3-ol Formula: C15H24NO3S+ MolecularWeight: 298.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCCC(C2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCC[C@@H](C2)O

InChI

InChI=1S/C15H23NO3S/c1-12-5-6-13(2)15(10-12)20(18,19)9-8-16-7-3-4-14(17)11-16/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3/p+1/t14-/m0/s1