[(2S)-1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperidin-2-yl]azanium

Systemtic Name: [(2S)-1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonylpiperidin-2-yl]azanium Openeye Name: [(2S)-1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-2-piperidyl]ammonium CAS Name: [(2S)-1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2-piperidinyl]ammonium IUPAC Name: [(2S)-1-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperidin-2-yl]azanium Traditional Name: [(2S)-1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-2-piperidyl]ammonium Formula: C12H17ClN3O4S+ MolecularWeight: 334.79908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O4S/c1-8-10(13)6-9(7-11(8)16(17)18)21(19,20)15-5-3-2-4-12(15)14/h6-7,12H,2-5,14H2,1H3/p+1/t12-/m0/s1