4-[6-[4-[(2-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridin-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-[(2-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]pyridin-3-yl]sulfonylmorpholine Openeye Name: 4-[[6-[4-[(2-bromo-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-3-pyridyl]sulfonyl]morpholine CAS Name: 4-[[6-[4-[(2-bromo-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]pyridin-3-yl]sulfonylmorpholine Traditional Name: 4-[[6-[4-(2-bromo-4-fluoro-benzyl)piperazin-4-ium-1-yl]-3-pyridyl]sulfonyl]morpholine Formula: C20H25BrFN4O3S+ MolecularWeight: 500.404903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrFN4O3S/c21-19-13-17(22)2-1-16(19)15-24-5-7-25(8-6-24)20-4-3-18(14-23-20)30(27,28)26-9-11-29-12-10-26/h1-4,13-14H,5-12,15H2/p+1