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

Systemtic Name: methyl 4-[5-[(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzoate Openeye Name: methyl 4-[5-[[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazol-3-yl]benzoate CAS Name: 4-[5-[[4-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazol-3-yl]benzoate Traditional Name: 4-[5-[[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester Formula: C21H27N4O5+ MolecularWeight: 415.46288

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)C(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCC(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C21H26N4O5/c1-28-21(27)17-4-2-15(3-5-17)19-22-18(30-23-19)14-24-8-6-16(7-9-24)20(26)25-10-12-29-13-11-25/h2-5,16H,6-14H2,1H3/p+1