[1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]azanium

Systemtic Name: [1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]azanium Openeye Name: [1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]ammonium CAS Name: [1-(2,3-dimethyl-5-nitrophenyl)sulfonyl-4-piperidinyl]ammonium IUPAC Name: [1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidin-4-yl]azanium Traditional Name: [1-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-4-piperidyl]ammonium Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCC(CC2)[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O4S/c1-9-7-12(16(17)18)8-13(10(9)2)21(19,20)15-5-3-11(14)4-6-15/h7-8,11H,3-6,14H2,1-2H3/p+1