2-(1,3-benzodioxol-5-yl)ethyl-[(2,4-dimethylphenyl)methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2,4-dimethylphenyl)methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2,4-dimethylphenyl)methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2,4-dimethylphenyl)methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[(2,4-dimethylphenyl)methyl]azanium Traditional Name: (2,4-dimethylbenzyl)-homopiperonyl-ammonium Formula: C18H22NO2+ MolecularWeight: 284.37278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2/c1-13-3-5-16(14(2)9-13)11-19-8-7-15-4-6-17-18(10-15)21-12-20-17/h3-6,9-10,19H,7-8,11-12H2,1-2H3/p+1