1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-4-ium

Systemtic Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-4-ium Openeye Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-4-ium CAS Name: 1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-4-ium IUPAC Name: 1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-4-ium Traditional Name: 1-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-4-ium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c1-9-7-11(15(16)17)8-12(10(9)2)20(18,19)14-5-3-13-4-6-14/h7-8,13H,3-6H2,1-2H3/p+1