1-[(2R)-1-(2-nitrophenyl)sulfonylpropan-2-yl]piperidin-1-ium

Systemtic Name: 1-[(2R)-1-(2-nitrophenyl)sulfonylpropan-2-yl]piperidin-1-ium Openeye Name: 1-[(1R)-1-methyl-2-(2-nitrophenyl)sulfonyl-ethyl]piperidin-1-ium CAS Name: 1-[(2R)-1-(2-nitrophenyl)sulfonylpropan-2-yl]piperidin-1-ium IUPAC Name: 1-[(2R)-1-(2-nitrophenyl)sulfonylpropan-2-yl]piperidin-1-ium Traditional Name: 1-[(1R)-1-methyl-2-(2-nitrophenyl)sulfonyl-ethyl]piperidin-1-ium Formula: C14H21N2O4S+ MolecularWeight: 313.39254

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

C[C@H](CS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C14H20N2O4S/c1-12(15-9-5-2-6-10-15)11-21(19,20)14-8-4-3-7-13(14)16(17)18/h3-4,7-8,12H,2,5-6,9-11H2,1H3/p+1/t12-/m1/s1