[(2S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]azanium

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]azanium Openeye Name: [(2S)-1-(3,4-dimethylphenyl)sulfonyl-2-piperidyl]ammonium CAS Name: [(2S)-1-(3,4-dimethylphenyl)sulfonyl-2-piperidinyl]ammonium IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]azanium Traditional Name: [(2S)-1-(3,4-dimethylphenyl)sulfonyl-2-piperidyl]ammonium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC[C@H]2[NH3+])C

InChI

InChI=1S/C13H20N2O2S/c1-10-6-7-12(9-11(10)2)18(16,17)15-8-4-3-5-13(15)14/h6-7,9,13H,3-5,8,14H2,1-2H3/p+1/t13-/m0/s1