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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylammonium IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-[2-(cyclopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C14H18BrN2O3+ MolecularWeight: 342.20832

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1Br)OCO2)CC(=O)NC3CC3

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1Br)OCO2)CC(=O)NC3CC3

InChI

InChI=1S/C14H17BrN2O3/c1-17(7-14(18)16-10-2-3-10)6-9-4-12-13(5-11(9)15)20-8-19-12/h4-5,10H,2-3,6-8H2,1H3,(H,16,18)/p+1