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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium Traditional Name: 1-(4-bromobenzyl)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CN3CC[NH+](CC3)CC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CN3CC[NH+](CC3)CC4=CC=C(C=C4)Br

InChI

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