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

Systemtic Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-(m-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3,5-dimethoxybenzyl)-4-(3-methylbenzyl)piperazine-1,4-diium Formula: C21H30N2O2+2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H28N2O2/c1-17-5-4-6-18(11-17)15-22-7-9-23(10-8-22)16-19-12-20(24-2)14-21(13-19)25-3/h4-6,11-14H,7-10,15-16H2,1-3H3/p+2