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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-methylphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-(o-tolylmethyl)ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2-methylphenyl)methyl]azanium Traditional Name: homopiperonyl-(2-methylbenzyl)ammonium Formula: C17H20NO2+ MolecularWeight: 270.3462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1C[NH2+]CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19NO2/c1-13-4-2-3-5-15(13)11-18-9-8-14-6-7-16-17(10-14)20-12-19-16/h2-7,10,18H,8-9,11-12H2,1H3/p+1