1-[(4-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(4-bromobenzyl)-4-(3,5-dimethoxybenzyl)piperazin-1-ium Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H25BrN2O2/c1-24-19-11-17(12-20(13-19)25-2)15-23-9-7-22(8-10-23)14-16-3-5-18(21)6-4-16/h3-6,11-13H,7-10,14-15H2,1-2H3/p+1