[(2S)-1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-2-yl]azanium

Systemtic Name: [(2S)-1-(4-methyl-3-nitro-phenyl)sulfonylpiperidin-2-yl]azanium Openeye Name: [(2S)-1-(4-methyl-3-nitro-phenyl)sulfonyl-2-piperidyl]ammonium CAS Name: [(2S)-1-(4-methyl-3-nitrophenyl)sulfonyl-2-piperidinyl]ammonium IUPAC Name: [(2S)-1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-2-yl]azanium Traditional Name: [(2S)-1-(4-methyl-3-nitro-phenyl)sulfonyl-2-piperidyl]ammonium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC[C@H]2[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c1-9-5-6-10(8-11(9)15(16)17)20(18,19)14-7-3-2-4-12(14)13/h5-6,8,12H,2-4,7,13H2,1H3/p+1/t12-/m0/s1