[(2S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-2-yl]azanium

Systemtic Name: [(2S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-2-yl]azanium Openeye Name: [(2S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-2-piperidyl]ammonium CAS Name: [(2S)-1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-2-piperidinyl]ammonium IUPAC Name: [(2S)-1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidin-2-yl]azanium Traditional Name: [(2S)-1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-2-piperidyl]ammonium Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCCCC2[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCCC[C@H]2[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-9-7-11(16(17)18)8-12(10(9)2)21(19,20)15-6-4-3-5-13(15)14/h7-8,13H,3-6,14H2,1-2H3/p+1/t13-/m0/s1