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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(m-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-methylbenzyl)-4-o-veratryl-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=C(C(=CC=C3)OC)OC

Isomeric SMILES

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

InChI

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