1-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(4-bromo-2,5-dimethoxy-phenyl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Traditional Name: 1-(4-bromo-2,5-dimethoxy-benzyl)-4-(4-methoxyphenyl)piperazin-1-ium Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)Br)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)Br)OC

InChI

InChI=1S/C20H25BrN2O3/c1-24-17-6-4-16(5-7-17)23-10-8-22(9-11-23)14-15-12-20(26-3)18(21)13-19(15)25-2/h4-7,12-13H,8-11,14H2,1-3H3/p+1