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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH2+]CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH2+]CCC2=CC3=C(C=C2)OCO3

InChI

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