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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2-chlorophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(2-chlorophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2-chlorophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2-chlorophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(2-chlorobenzyl)piperazine-1,4-diium Formula: C19H24BrClN2O+2 MolecularWeight: 411.76366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3Cl)Br

InChI

InChI=1S/C19H22BrClN2O/c1-24-19-7-6-15(12-17(19)20)13-22-8-10-23(11-9-22)14-16-4-2-3-5-18(16)21/h2-7,12H,8-11,13-14H2,1H3/p+2