4-[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[2-(4-ethyl-1-piperazin-4-iumyl)-5-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-phenyl]sulfonylmorpholine Formula: C16H25N4O5S+ MolecularWeight: 385.4585

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H24N4O5S/c1-2-17-5-7-18(8-6-17)15-4-3-14(20(21)22)13-16(15)26(23,24)19-9-11-25-12-10-19/h3-4,13H,2,5-12H2,1H3/p+1