1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-o-anisyl-piperazine-1,4-diium Formula: C20H27BrN2O2+2 MolecularWeight: 407.34458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3OC)Br

InChI

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