1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(2,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C22H30BrN2O4+ MolecularWeight: 466.3886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O4/c1-26-19-6-5-16(11-18(19)23)14-24-7-9-25(10-8-24)15-17-12-21(28-3)22(29-4)13-20(17)27-2/h5-6,11-13H,7-10,14-15H2,1-4H3/p+1