1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(2,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C23H31N2O6+ MolecularWeight: 431.50204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCN(CC3)CC4=CC(=C(C=C4OC)OC)OC

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCN(CC3)CC4=CC(=C(C=C4OC)OC)OC

InChI

InChI=1S/C23H30N2O6/c1-26-18-12-20(28-3)19(27-2)11-17(18)14-25-7-5-24(6-8-25)13-16-9-21(29-4)23-22(10-16)30-15-31-23/h9-12H,5-8,13-15H2,1-4H3/p+1