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

Systemtic Name: 4-[3-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methyl]phenyl]sulfonylmorpholine Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O3S/c26-29(27,25-12-14-28-15-13-25)21-6-3-4-19(16-21)17-23-8-10-24(11-9-23)18-20-5-1-2-7-22-20/h1-7,16H,8-15,17-18H2/p+1