2-(4-bromanylphenoxy)ethyl-methyl-[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-methyl-[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]azanium Openeye Name: 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl]ammonium CAS Name: 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl]ammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]azanium Traditional Name: 2-(4-bromophenoxy)ethyl-[2-keto-2-(2-thenylcarbamoylamino)ethyl]-methyl-ammonium Formula: C17H21BrN3O3S+ MolecularWeight: 427.33594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Br)CC(=O)NC(=O)NCC2=CC=CS2

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Br)CC(=O)NC(=O)NCC2=CC=CS2

InChI

InChI=1S/C17H20BrN3O3S/c1-21(8-9-24-14-6-4-13(18)5-7-14)12-16(22)20-17(23)19-11-15-3-2-10-25-15/h2-7,10H,8-9,11-12H2,1H3,(H2,19,20,22,23)/p+1