[1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-4-yl]azanium

Systemtic Name: [1-(4-methylsulfonyl-2-nitro-phenyl)piperidin-4-yl]azanium Openeye Name: [1-(4-methylsulfonyl-2-nitro-phenyl)-4-piperidyl]ammonium CAS Name: [1-(4-methylsulfonyl-2-nitrophenyl)-4-piperidinyl]ammonium IUPAC Name: [1-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-yl]azanium Traditional Name: [1-(4-mesyl-2-nitro-phenyl)-4-piperidyl]ammonium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)[NH3+])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c1-20(18,19)10-2-3-11(12(8-10)15(16)17)14-6-4-9(13)5-7-14/h2-3,8-9H,4-7,13H2,1H3/p+1