1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-piperonyl-piperazine-1,4-diium Formula: C22H30N2O4+2 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H28N2O4/c1-3-26-21-12-17(4-6-19(21)25-2)14-23-8-10-24(11-9-23)15-18-5-7-20-22(13-18)28-16-27-20/h4-7,12-13H,3,8-11,14-16H2,1-2H3/p+2