(5-bromanylthiophen-2-yl)methyl-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[2-(tert-butylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-(tert-butylcarbamoylamino)-2-keto-ethyl]-methyl-ammonium Formula: C13H21BrN3O2S+ MolecularWeight: 363.29374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)C[NH+](C)CC1=CC=C(S1)Br

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)C[NH+](C)CC1=CC=C(S1)Br

InChI

InChI=1S/C13H20BrN3O2S/c1-13(2,3)16-12(19)15-11(18)8-17(4)7-9-5-6-10(14)20-9/h5-6H,7-8H2,1-4H3,(H2,15,16,18,19)/p+1