1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2,4-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(=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

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

InChI

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