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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-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=C4)Br

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CC[NH+](CC3)CC4=CC(=CC=C4)Br

InChI

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