(3,5-dimethylphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide

Systemtic Name: (3,5-dimethylphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide Openeye Name: (3,5-dimethylphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide CAS Name: (3,5-dimethylphenyl)-[[(3S)-3-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (3,5-dimethylphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonylazanide Traditional Name: (3,5-dimethylphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N-]S(=O)(=O)C2CCC[NH2+]C2)C

Isomeric SMILES

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

InChI

InChI=1S/C13H19N2O2S/c1-10-6-11(2)8-12(7-10)15-18(16,17)13-4-3-5-14-9-13/h6-8,13-14H,3-5,9H2,1-2H3/q-1/p+1/t13-/m0/s1