4-bromanyl-2-[[4-(pyridin-4-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-(pyridin-4-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-(4-pyridylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-(pyridin-4-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-(pyridin-4-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(4-pyridylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C17H22BrN3O+2 MolecularWeight: 364.28008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=NC=C2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=NC=C2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C17H20BrN3O/c18-16-1-2-17(22)15(11-16)13-21-9-7-20(8-10-21)12-14-3-5-19-6-4-14/h1-6,11,22H,7-10,12-13H2/p+2