(2,5-dimethoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide

Systemtic Name: (2,5-dimethoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide Openeye Name: (2,5-dimethoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide CAS Name: (2,5-dimethoxyphenyl)-[[(3S)-3-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (2,5-dimethoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonylazanide Traditional Name: (2,5-dimethoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)[N-]S(=O)(=O)C2CCC[NH2+]C2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[N-]S(=O)(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C13H19N2O4S/c1-18-10-5-6-13(19-2)12(8-10)15-20(16,17)11-4-3-7-14-9-11/h5-6,8,11,14H,3-4,7,9H2,1-2H3/q-1/p+1/t11-/m0/s1