2-(1,3-benzodioxol-5-yl)ethyl-bis[(3-methoxyphenyl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-bis[(3-methoxyphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-bis[(3-methoxyphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-bis[(3-methoxyphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-bis[(3-methoxyphenyl)methyl]azanium Traditional Name: homopiperonyl-bis(m-anisyl)ammonium Formula: C25H28NO4+ MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H27NO4/c1-27-22-7-3-5-20(13-22)16-26(17-21-6-4-8-23(14-21)28-2)12-11-19-9-10-24-25(15-19)30-18-29-24/h3-10,13-15H,11-12,16-18H2,1-2H3/p+1