(6-bromanyl-1,3-benzodioxol-5-yl)methyl-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C19H22BrN2O3+ MolecularWeight: 406.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](C)CC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C19H21BrN2O3/c1-12-5-4-6-13(2)19(12)21-18(23)10-22(3)9-14-7-16-17(8-15(14)20)25-11-24-16/h4-8H,9-11H2,1-3H3,(H,21,23)/p+1