4-[3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine Formula: C22H30N3O5S2+ MolecularWeight: 480.6207

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O5S2/c26-31(27,19-20-5-2-1-3-6-20)24-11-9-23(10-12-24)18-21-7-4-8-22(17-21)32(28,29)25-13-15-30-16-14-25/h1-8,17H,9-16,18-19H2/p+1