1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-m-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)Br)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)OC

InChI

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