(3S)-3-methyl-1-[(2S)-1-(4-nitrophenyl)sulfonylpropan-2-yl]piperidin-1-ium

Systemtic Name: (3S)-3-methyl-1-[(2S)-1-(4-nitrophenyl)sulfonylpropan-2-yl]piperidin-1-ium Openeye Name: (3S)-3-methyl-1-[(1S)-1-methyl-2-(4-nitrophenyl)sulfonyl-ethyl]piperidin-1-ium CAS Name: (3S)-3-methyl-1-[(2S)-1-(4-nitrophenyl)sulfonylpropan-2-yl]piperidin-1-ium IUPAC Name: (3S)-3-methyl-1-[(2S)-1-(4-nitrophenyl)sulfonylpropan-2-yl]piperidin-1-ium Traditional Name: (3S)-3-methyl-1-[(1S)-1-methyl-2-nosyl-ethyl]piperidin-1-ium Formula: C15H23N2O4S+ MolecularWeight: 327.41912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N2O4S/c1-12-4-3-9-16(10-12)13(2)11-22(20,21)15-7-5-14(6-8-15)17(18)19/h5-8,12-13H,3-4,9-11H2,1-2H3/p+1/t12-,13-/m0/s1