(5-bromanylthiophen-2-yl)methyl-methyl-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-methyl-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-methyl-[2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-(isopropylcarbamoylamino)-2-keto-ethyl]-methyl-ammonium Formula: C12H19BrN3O2S+ MolecularWeight: 349.26716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrN3O2S/c1-8(2)14-12(18)15-11(17)7-16(3)6-9-4-5-10(13)19-9/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17,18)/p+1