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

Systemtic Name: [1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]azanium Openeye Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]ammonium CAS Name: [1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]ammonium IUPAC Name: [1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]azanium Traditional Name: [1-(2-methyl-5-nitro-phenyl)sulfonyl-4-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)N2CCC(CC2)[NH3+]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)[NH3+]

InChI

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