4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[3-nitro-4-(4-piperonylpiperazin-4-ium-1-yl)phenyl]sulfonylmorpholine Formula: C22H27N4O7S+ MolecularWeight: 491.53738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O7S/c27-26(28)20-14-18(34(29,30)25-9-11-31-12-10-25)2-3-19(20)24-7-5-23(6-8-24)15-17-1-4-21-22(13-17)33-16-32-21/h1-4,13-14H,5-12,15-16H2/p+1