1-(2-bromanylphenoxy)-3-piperazine-1,4-diium-1-yl-propan-2-ol dichloride

Systemtic Name: 1-(2-bromanylphenoxy)-3-piperazine-1,4-diium-1-yl-propan-2-ol dichloride Openeye Name: 1-(2-bromophenoxy)-3-piperazine-1,4-diium-1-yl-propan-2-ol dichloride CAS Name: 1-(2-bromophenoxy)-3-(1-piperazine-1,4-diiumyl)-2-propanol dichloride IUPAC Name: 1-(2-bromophenoxy)-3-piperazine-1,4-diium-1-ylpropan-2-ol dichloride Traditional Name: 1-(2-bromophenoxy)-3-piperazine-1,4-diium-1-yl-propan-2-ol dichloride Formula: C13H21BrCl2N2O2 MolecularWeight: 388.12804

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC(COC2=CC=CC=C2Br)O.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CC(COC2=CC=CC=C2Br)O.[Cl-].[Cl-]

InChI

InChI=1S/C13H19BrN2O2.2ClH/c14-12-3-1-2-4-13(12)18-10-11(17)9-16-7-5-15-6-8-16;;/h1-4,11,15,17H,5-10H2;2*1H