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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,5-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3,5-dimethoxybenzyl)-4-piperonyl-piperazine-1,4-diium Formula: C21H28N2O4+2 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H26N2O4/c1-24-18-9-17(10-19(12-18)25-2)14-23-7-5-22(6-8-23)13-16-3-4-20-21(11-16)27-15-26-20/h3-4,9-12H,5-8,13-15H2,1-2H3/p+2