1,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium

Systemtic Name: 1,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium Openeye Name: 1,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium CAS Name: 1,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium IUPAC Name: 1,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium Traditional Name: 1,4-bis[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium Formula: C22H27N2O6+ MolecularWeight: 415.45958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCN(CC3)CC4=CC5=C(C(=C4)OC)OCO5

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCN(CC3)CC4=CC5=C(C(=C4)OC)OCO5

InChI

InChI=1S/C22H26N2O6/c1-25-17-7-15(9-19-21(17)29-13-27-19)11-23-3-5-24(6-4-23)12-16-8-18(26-2)22-20(10-16)28-14-30-22/h7-10H,3-6,11-14H2,1-2H3/p+1