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

Systemtic Name: methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: methyl-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: methyl-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+](C)C(C)C2=CC=CS2

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+](C)[C@@H](C)C2=CC=CS2

InChI

InChI=1S/C13H17N3O2S/c1-9-7-12(15-18-9)14-13(17)8-16(3)10(2)11-5-4-6-19-11/h4-7,10H,8H2,1-3H3,(H,14,15,17)/p+1/t10-/m0/s1