(3-bromanyl-4-fluoranyl-phenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C15H24BrFN2+2 MolecularWeight: 331.266863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C15H22BrFN2/c1-2-7-19-8-5-13(6-9-19)18-11-12-3-4-15(17)14(16)10-12/h3-4,10,13,18H,2,5-9,11H2,1H3/p+2