4-bromanyl-2-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C18H21BrClN2O+ MolecularWeight: 396.72914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrClN2O/c19-16-4-5-18(23)15(11-16)13-22-8-6-21(7-9-22)12-14-2-1-3-17(20)10-14/h1-5,10-11,23H,6-9,12-13H2/p+1