[2-[(5-bromanyl-1,3-benzodioxol-4-yl)amino]-2-oxidanylidene-ethyl]-diethyl-azanium chloride

Systemtic Name: [2-[(5-bromanyl-1,3-benzodioxol-4-yl)amino]-2-oxidanylidene-ethyl]-diethyl-azanium chloride Openeye Name: [2-[(5-bromo-1,3-benzodioxol-4-yl)amino]-2-oxo-ethyl]-diethyl-ammonium chloride CAS Name: [2-[(5-bromo-1,3-benzodioxol-4-yl)amino]-2-oxoethyl]-diethylammonium chloride IUPAC Name: [2-[(5-bromo-1,3-benzodioxol-4-yl)amino]-2-oxoethyl]-diethylazanium chloride Traditional Name: [2-[(5-bromo-1,3-benzodioxol-4-yl)amino]-2-keto-ethyl]-diethyl-ammonium chloride Formula: C13H18BrClN2O3 MolecularWeight: 365.65062

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)NC1=C(C=CC2=C1OCO2)Br.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC(=O)NC1=C(C=CC2=C1OCO2)Br.[Cl-]

InChI

InChI=1S/C13H17BrN2O3.ClH/c1-3-16(4-2)7-11(17)15-12-9(14)5-6-10-13(12)19-8-18-10;/h5-6H,3-4,7-8H2,1-2H3,(H,15,17);1H