(3S,6S)-6-methyl-N-(4-methylsulfonylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-6-methyl-N-(4-methylsulfonylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-6-methyl-N-(4-methylsulfonylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-6-methyl-N-(4-methylsulfonylphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-6-methyl-N-(4-methylsulfonylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-N-(4-mesylphenyl)-6-methyl-piperidin-1-ium-3-carboxamide Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C14H20N2O3S/c1-10-3-4-11(9-15-10)14(17)16-12-5-7-13(8-6-12)20(2,18)19/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,16,17)/p+1/t10-,11-/m0/s1