1-[(2-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Openeye Name: 1-[(2-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(2-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-bromobenzyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Formula: C20H25BrN2O3+2 MolecularWeight: 421.3281

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4Br

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4Br

InChI

InChI=1S/C20H23BrN2O3/c1-24-18-10-15(11-19-20(18)26-14-25-19)12-22-6-8-23(9-7-22)13-16-4-2-3-5-17(16)21/h2-5,10-11H,6-9,12-14H2,1H3/p+2