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

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-(4-methoxy-3-nitrophenyl)sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-(4-methoxy-3-nitrophenyl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C12H18N3O5S+ MolecularWeight: 316.35342

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5S/c1-13-5-7-14(8-6-13)21(18,19)10-3-4-12(20-2)11(9-10)15(16)17/h3-4,9H,5-8H2,1-2H3/p+1