1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-chlorobenzyl)-4-(3,5-dimethoxybenzyl)piperazine-1,4-diium Formula: C20H27ClN2O2+2 MolecularWeight: 362.89358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O2/c1-24-19-11-17(12-20(13-19)25-2)15-23-8-6-22(7-9-23)14-16-4-3-5-18(21)10-16/h3-5,10-13H,6-9,14-15H2,1-2H3/p+2