1-methyl-4-[4-(4-nitrophenoxy)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[4-(4-nitrophenoxy)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[4-(4-nitrophenoxy)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[4-(4-nitrophenoxy)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[4-(4-nitrophenoxy)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[4-(4-nitrophenoxy)phenyl]sulfonyl-piperazin-1-ium Formula: C17H20N3O5S+ MolecularWeight: 378.4228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c1-18-10-12-19(13-11-18)26(23,24)17-8-6-16(7-9-17)25-15-4-2-14(3-5-15)20(21)22/h2-9H,10-13H2,1H3/p+1