[3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-propyl]-[(3,5-dimethylphenyl)methyl]-dimethyl-azanium

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-propyl]-[(3,5-dimethylphenyl)methyl]-dimethyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-3-oxo-propyl]-[(3,5-dimethylphenyl)methyl]-dimethyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-3-oxopropyl]-[(3,5-dimethylphenyl)methyl]-dimethylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-3-oxopropyl]-[(3,5-dimethylphenyl)methyl]-dimethylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-3-keto-propyl]-(3,5-dimethylbenzyl)-dimethyl-ammonium Formula: C21H26NO3+ MolecularWeight: 340.43604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[N+](C)(C)CCC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C[N+](C)(C)CCC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C21H26NO3/c1-15-9-16(2)11-17(10-15)13-22(3,4)8-7-19(23)18-5-6-20-21(12-18)25-14-24-20/h5-6,9-12H,7-8,13-14H2,1-4H3/q+1