2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-bromanyl-phenol

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-bromanyl-phenol Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-bromo-phenol CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4-bromophenol IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-bromophenol Traditional Name: 4-bromo-2-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]phenol Formula: C19H23BrN2O3+2 MolecularWeight: 407.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC(=C4)Br)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C19H21BrN2O3/c20-16-2-3-17(23)15(10-16)12-22-7-5-21(6-8-22)11-14-1-4-18-19(9-14)25-13-24-18/h1-4,9-10,23H,5-8,11-13H2/p+2