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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-bromophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-bromobenzyl)-4-piperonyl-piperazine-1,4-diium Formula: C19H23BrN2O2+2 MolecularWeight: 391.30212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4Br

InChI

InChI=1S/C19H21BrN2O2/c20-17-4-2-1-3-16(17)13-22-9-7-21(8-10-22)12-15-5-6-18-19(11-15)24-14-23-18/h1-6,11H,7-10,12-14H2/p+2