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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCCC(C2)[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC[C@@H](C2)[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-9-6-12(16(17)18)7-13(10(9)2)21(19,20)15-5-3-4-11(14)8-15/h6-7,11H,3-5,8,14H2,1-2H3/p+1/t11-/m0/s1