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

Systemtic Name: (3-methoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide Openeye Name: (3-methoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide CAS Name: (3-methoxyphenyl)-[[(3S)-3-piperidin-1-iumyl]sulfonyl]azanide IUPAC Name: (3-methoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonylazanide Traditional Name: (3-methoxyphenyl)-[(3S)-piperidin-1-ium-3-yl]sulfonyl-azanide Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N2O3S/c1-17-11-5-2-4-10(8-11)14-18(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