(3-methylphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide

Systemtic Name: (3-methylphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide Openeye Name: m-tolyl-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide CAS Name: (3-methylphenyl)-[[(3S)-3-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (3-methylphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonylazanide Traditional Name: m-tolyl-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N2O2S/c1-10-4-2-5-11(8-10)14-17(15,16)12-6-3-7-13-9-12/h2,4-5,8,12-13H,3,6-7,9H2,1H3/q-1/p+1/t12-/m0/s1