1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(5-bromo-2,4-dimethoxy-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(5-bromo-2,4-dimethoxy-benzyl)piperazine-1,4-diium Formula: C20H27BrN2O2+2 MolecularWeight: 407.34458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)Br)OC

InChI

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