1-[(2-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(2-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(2-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(2-bromophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(2-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=CC=C3Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3Br)OC

InChI

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