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

Systemtic Name: (4-methylphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide Openeye Name: [(3S)-piperidin-1-ium-3-yl]sulfonyl-(p-tolyl)azanide CAS Name: (4-methylphenyl)-[[(3S)-3-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (4-methylphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonylazanide Traditional Name: [(3S)-piperidin-1-ium-3-yl]sulfonyl-(p-tolyl)azanide Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N2O2S/c1-10-4-6-11(7-5-10)14-17(15,16)12-3-2-8-13-9-12/h4-7,12-13H,2-3,8-9H2,1H3/q-1/p+1/t12-/m0/s1