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

Systemtic Name: [(3S)-1-(4-methoxy-3-nitro-phenyl)sulfonylpiperidin-3-yl]azanium Openeye Name: [(3S)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-3-piperidyl]ammonium CAS Name: [(3S)-1-(4-methoxy-3-nitrophenyl)sulfonyl-3-piperidinyl]ammonium IUPAC Name: [(3S)-1-(4-methoxy-3-nitrophenyl)sulfonylpiperidin-3-yl]azanium Traditional Name: [(3S)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-3-piperidyl]ammonium Formula: C12H18N3O5S+ MolecularWeight: 316.35342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)[NH3+])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5S/c1-20-12-5-4-10(7-11(12)15(16)17)21(18,19)14-6-2-3-9(13)8-14/h4-5,7,9H,2-3,6,8,13H2,1H3/p+1/t9-/m0/s1