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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-bis[(2-methylphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-bis(o-tolylmethyl)ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-bis[(2-methylphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-bis[(2-methylphenyl)methyl]azanium Traditional Name: homopiperonyl-bis(2-methylbenzyl)ammonium Formula: C25H28NO2+ MolecularWeight: 374.49532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4C

InChI

InChI=1S/C25H27NO2/c1-19-7-3-5-9-22(19)16-26(17-23-10-6-4-8-20(23)2)14-13-21-11-12-24-25(15-21)28-18-27-24/h3-12,15H,13-14,16-18H2,1-2H3/p+1