methyl-phenethyl-[(3-thiomorpholin-4-ylcarbonyl-1,2-oxazol-5-yl)methyl]azanium

Systemtic Name: methyl-phenethyl-[(3-thiomorpholin-4-ylcarbonyl-1,2-oxazol-5-yl)methyl]azanium Openeye Name: methyl-phenethyl-[[3-(thiomorpholine-4-carbonyl)isoxazol-5-yl]methyl]ammonium CAS Name: methyl-[[3-[oxo(thiomorpholin-4-yl)methyl]-5-isoxazolyl]methyl]-phenethylammonium IUPAC Name: methyl-phenethyl-[[3-(thiomorpholine-4-carbonyl)-1,2-oxazol-5-yl]methyl]azanium Traditional Name: methyl-phenethyl-[[3-(thiomorpholine-4-carbonyl)isoxazol-5-yl]methyl]ammonium Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N3CCSCC3

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CC(=NO2)C(=O)N3CCSCC3

InChI

InChI=1S/C18H23N3O2S/c1-20(8-7-15-5-3-2-4-6-15)14-16-13-17(19-23-16)18(22)21-9-11-24-12-10-21/h2-6,13H,7-12,14H2,1H3/p+1