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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(2,4-dimethoxybenzyl)piperazin-4-ium Formula: C21H28BrN2O3+ MolecularWeight: 436.36262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O3/c1-25-18-6-5-17(21(13-18)27-3)15-24-10-8-23(9-11-24)14-16-4-7-20(26-2)19(22)12-16/h4-7,12-13H,8-11,14-15H2,1-3H3/p+1