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

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-methyl-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-methyl-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-methyl-ammonium Formula: C12H15BrN3O2S+ MolecularWeight: 345.2354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+](C)CC2=CC=C(S2)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+](C)CC2=CC=C(S2)Br

InChI

InChI=1S/C12H14BrN3O2S/c1-8-5-11(15-18-8)14-12(17)7-16(2)6-9-3-4-10(13)19-9/h3-5H,6-7H2,1-2H3,(H,14,15,17)/p+1