1-[4-(chloromethyl)-2-fluoranyl-phenyl]-4-propyl-piperazin-4-ium

Systemtic Name: 1-[4-(chloromethyl)-2-fluoranyl-phenyl]-4-propyl-piperazin-4-ium Openeye Name: 1-[4-(chloromethyl)-2-fluoro-phenyl]-4-propyl-piperazin-4-ium CAS Name: 1-[4-(chloromethyl)-2-fluorophenyl]-4-propylpiperazin-4-ium IUPAC Name: 1-[4-(chloromethyl)-2-fluorophenyl]-4-propylpiperazin-4-ium Traditional Name: 1-[4-(chloromethyl)-2-fluoro-phenyl]-4-propyl-piperazin-4-ium Formula: C14H21ClFN2+ MolecularWeight: 271.781343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)CCl)F

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)CCl)F

InChI

InChI=1S/C14H20ClFN2/c1-2-5-17-6-8-18(9-7-17)14-4-3-12(11-15)10-13(14)16/h3-4,10H,2,5-9,11H2,1H3/p+1