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

Systemtic Name: 1-methyl-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C12H18N3O4S+ MolecularWeight: 300.35402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c1-10-3-4-11(9-12(10)15(16)17)20(18,19)14-7-5-13(2)6-8-14/h3-4,9H,5-8H2,1-2H3/p+1