1-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

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