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

Systemtic Name: 4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]sulfonylmorpholine Formula: C20H28N4O3S+2 MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H26N4O3S/c25-28(26,24-12-14-27-15-13-24)19-5-3-4-18(16-19)17-22-8-10-23(11-9-22)20-6-1-2-7-21-20/h1-7,16H,8-15,17H2/p+2