4-[3-nitro-4-(4-prop-2-enylpiperazin-4-ium-1-yl)phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-nitro-4-(4-prop-2-enylpiperazin-4-ium-1-yl)phenyl]sulfonylmorpholine Openeye Name: 4-[4-(4-allylpiperazin-4-ium-1-yl)-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[3-nitro-4-(4-prop-2-enyl-1-piperazin-4-iumyl)phenyl]sulfonylmorpholine IUPAC Name: 4-[3-nitro-4-(4-prop-2-enylpiperazin-4-ium-1-yl)phenyl]sulfonylmorpholine Traditional Name: 4-[4-(4-allylpiperazin-4-ium-1-yl)-3-nitro-phenyl]sulfonylmorpholine Formula: C17H25N4O5S+ MolecularWeight: 397.4692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5S/c1-2-5-18-6-8-19(9-7-18)16-4-3-15(14-17(16)21(22)23)27(24,25)20-10-12-26-13-11-20/h2-4,14H,1,5-13H2/p+1