(4-cyanophenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide

Systemtic Name: (4-cyanophenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Openeye Name: (4-cyanophenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide CAS Name: (4-cyanophenyl)-[[(2S)-2-methyl-1-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (4-cyanophenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylazanide Traditional Name: (4-cyanophenyl)-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyl-azanide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1S(=O)(=O)[N-]C2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H]1CCCC[NH+]1S(=O)(=O)[N-]C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H16N3O2S/c1-11-4-2-3-9-16(11)19(17,18)15-13-7-5-12(10-14)6-8-13/h5-8,11H,2-4,9H2,1H3/q-1/p+1/t11-/m0/s1