4-[[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[4-(4-bromobenzyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CC[NH+](CC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CC[NH+](CC2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H25BrN2O3/c1-25-18-11-16(12-19(26-2)20(18)24)14-23-9-7-22(8-10-23)13-15-3-5-17(21)6-4-15/h3-6,11-12,24H,7-10,13-14H2,1-2H3/p+1