4-bromanyl-2-[[4-(pyridin-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-(pyridin-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-(3-pyridylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-(3-pyridinylmethyl)-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-(pyridin-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(3-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=CN=CC=C2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

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

InChI

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