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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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