methyl 4-[5-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzoate

Systemtic Name: methyl 4-[5-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzoate Openeye Name: methyl 4-[5-[(4-thiomorpholinopiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzoate CAS Name: 4-[5-[(4-thiomorpholin-4-yl-1-piperidin-1-iumyl)methyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(4-thiomorpholin-4-ylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzoate Traditional Name: 4-[5-[(4-thiomorpholinopiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester Formula: C20H27N4O3S+ MolecularWeight: 403.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)N4CCSCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)N4CCSCC4

InChI

InChI=1S/C20H26N4O3S/c1-26-20(25)16-4-2-15(3-5-16)19-21-18(27-22-19)14-23-8-6-17(7-9-23)24-10-12-28-13-11-24/h2-5,17H,6-14H2,1H3/p+1