[1-(2-methoxy-5-nitro-phenyl)sulfonylpiperidin-4-yl]azanium

Systemtic Name: [1-(2-methoxy-5-nitro-phenyl)sulfonylpiperidin-4-yl]azanium Openeye Name: [1-(2-methoxy-5-nitro-phenyl)sulfonyl-4-piperidyl]ammonium CAS Name: [1-(2-methoxy-5-nitrophenyl)sulfonyl-4-piperidinyl]ammonium IUPAC Name: [1-(2-methoxy-5-nitrophenyl)sulfonylpiperidin-4-yl]azanium Traditional Name: [1-(2-methoxy-5-nitro-phenyl)sulfonyl-4-piperidyl]ammonium Formula: C12H18N3O5S+ MolecularWeight: 316.35342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)[NH3+]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)[NH3+]

InChI

InChI=1S/C12H17N3O5S/c1-20-11-3-2-10(15(16)17)8-12(11)21(18,19)14-6-4-9(13)5-7-14/h2-3,8-9H,4-7,13H2,1H3/p+1