(3S)-N-(2,6-dimethylphenyl)piperidin-1-ium-3-sulfonamide

Systemtic Name: (3S)-N-(2,6-dimethylphenyl)piperidin-1-ium-3-sulfonamide Openeye Name: (3S)-N-(2,6-dimethylphenyl)piperidin-1-ium-3-sulfonamide CAS Name: (3S)-N-(2,6-dimethylphenyl)-3-piperidin-1-iumsulfonamide IUPAC Name: (3S)-N-(2,6-dimethylphenyl)piperidin-1-ium-3-sulfonamide Traditional Name: (3S)-N-(2,6-dimethylphenyl)piperidin-1-ium-3-sulfonamide Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2CCC[NH2+]C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NS(=O)(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C13H20N2O2S/c1-10-5-3-6-11(2)13(10)15-18(16,17)12-7-4-8-14-9-12/h3,5-6,12,14-15H,4,7-9H2,1-2H3/p+1/t12-/m0/s1