4-[5-nitro-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[5-nitro-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[5-nitro-2-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]phenyl]sulfonylmorpholine CAS Name: 4-[5-nitro-2-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[5-nitro-2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]phenyl]sulfonylmorpholine Traditional Name: 4-[5-nitro-2-[4-(2-thenyl)piperazin-4-ium-1-yl]phenyl]sulfonylmorpholine Formula: C19H25N4O5S2+ MolecularWeight: 453.5556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H24N4O5S2/c24-23(25)16-3-4-18(19(14-16)30(26,27)22-9-11-28-12-10-22)21-7-5-20(6-8-21)15-17-2-1-13-29-17/h1-4,13-14H,5-12,15H2/p+1