(3S)-N-(3,4-dimethylphenyl)piperidin-1-ium-3-sulfonamide

Systemtic Name: (3S)-N-(3,4-dimethylphenyl)piperidin-1-ium-3-sulfonamide Openeye Name: (3S)-N-(3,4-dimethylphenyl)piperidin-1-ium-3-sulfonamide CAS Name: (3S)-N-(3,4-dimethylphenyl)-3-piperidin-1-iumsulfonamide IUPAC Name: (3S)-N-(3,4-dimethylphenyl)piperidin-1-ium-3-sulfonamide Traditional Name: (3S)-N-(3,4-dimethylphenyl)piperidin-1-ium-3-sulfonamide Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S/c1-10-5-6-12(8-11(10)2)15-18(16,17)13-4-3-7-14-9-13/h5-6,8,13-15H,3-4,7,9H2,1-2H3/p+1/t13-/m0/s1