4-[3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]phenyl]sulfonylmorpholine Formula: C19H26N5O3S+ MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=NC=CC=N4

InChI

InChI=1S/C19H25N5O3S/c25-28(26,24-11-13-27-14-12-24)18-4-1-3-17(15-18)16-22-7-9-23(10-8-22)19-20-5-2-6-21-19/h1-6,15H,7-14,16H2/p+1