1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(3-bromo-4-fluoro-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(3-bromo-4-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-(3-bromo-4-fluoro-benzyl)piperazin-4-ium Formula: C18H21BrFN2+ MolecularWeight: 364.275143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C(C=C2)F)Br)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C(C=C2)F)Br)CC3=CC=CC=C3

InChI

InChI=1S/C18H20BrFN2/c19-17-12-16(6-7-18(17)20)14-22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2/p+1