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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=N2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=N2)CC3=C(C=CC(=C3)Br)O

InChI

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