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

Systemtic Name: [(3S)-1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-3-yl]azanium Openeye Name: [(3S)-1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]ammonium CAS Name: [(3S)-1-(2-methyl-5-nitrophenyl)sulfonyl-3-piperidinyl]ammonium IUPAC Name: [(3S)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-3-yl]azanium Traditional Name: [(3S)-1-(2-methyl-5-nitro-phenyl)sulfonyl-3-piperidyl]ammonium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)[NH3+]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC[C@@H](C2)[NH3+]

InChI

InChI=1S/C12H17N3O4S/c1-9-4-5-11(15(16)17)7-12(9)20(18,19)14-6-2-3-10(13)8-14/h4-5,7,10H,2-3,6,8,13H2,1H3/p+1/t10-/m0/s1