1-[4-[[3-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)carbonyl-1,2-oxazol-5-yl]methoxy]phenyl]ethanone

Systemtic Name: 1-[4-[[3-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)carbonyl-1,2-oxazol-5-yl]methoxy]phenyl]ethanone Openeye Name: 1-[4-[[3-(4-thiomorpholin-4-ium-4-ylpiperidine-1-carbonyl)isoxazol-5-yl]methoxy]phenyl]ethanone CAS Name: 1-[4-[[3-[oxo-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]methyl]-5-isoxazolyl]methoxy]phenyl]ethanone IUPAC Name: 1-[4-[[3-(4-thiomorpholin-4-ium-4-ylpiperidine-1-carbonyl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone Traditional Name: 1-[4-[[3-(4-thiomorpholin-4-ium-4-ylpiperidine-1-carbonyl)isoxazol-5-yl]methoxy]phenyl]ethanone Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCC(CC3)[NH+]4CCSCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCC(CC3)[NH+]4CCSCC4

InChI

InChI=1S/C22H27N3O4S/c1-16(26)17-2-4-19(5-3-17)28-15-20-14-21(23-29-20)22(27)25-8-6-18(7-9-25)24-10-12-30-13-11-24/h2-5,14,18H,6-13,15H2,1H3/p+1