(5-bromanylthiophen-2-yl)methyl-ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-ethyl-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-ethyl-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-ethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-ethyl-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]ammonium Formula: C13H17BrN3O2S+ MolecularWeight: 359.26198

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=NOC(=C2)C

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C13H16BrN3O2S/c1-3-17(7-10-4-5-11(14)20-10)8-13(18)15-12-6-9(2)19-16-12/h4-6H,3,7-8H2,1-2H3,(H,15,16,18)/p+1