1-(2,3-dimethyl-4-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-(2,3-dimethyl-4-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(2,3-dimethyl-4-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(2,3-dimethyl-4-nitrophenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(2,3-dimethyl-4-nitrophenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(2,3-dimethyl-4-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C13H20N3O4S+ MolecularWeight: 314.3806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-10-11(2)13(5-4-12(10)16(17)18)21(19,20)15-8-6-14(3)7-9-15/h4-5H,6-9H2,1-3H3/p+1