4-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]sulfonylmorpholine Openeye Name: 4-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonylmorpholine CAS Name: 4-[4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonylmorpholine Traditional Name: 4-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonylmorpholine Formula: C21H28N3O5S2+ MolecularWeight: 466.59412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H27N3O5S2/c25-30(26,23-12-10-22(11-13-23)18-19-4-2-1-3-5-19)20-6-8-21(9-7-20)31(27,28)24-14-16-29-17-15-24/h1-9H,10-18H2/p+1