[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-(4-nitrophenyl)sulfonyl-azanide

Systemtic Name: [(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-(4-nitrophenyl)sulfonyl-azanide Openeye Name: [(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-(4-nitrophenyl)sulfonyl-azanide CAS Name: [(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-(4-nitrophenyl)sulfonylazanide IUPAC Name: [(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-(4-nitrophenyl)sulfonylazanide Traditional Name: [(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-nosyl-azanide Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-10-4-3-5-11(2)15(10)14-21(19,20)13-8-6-12(7-9-13)16(17)18/h6-11,15H,3-5H2,1-2H3/t10-,11-/m0/s1