(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 3-morpholin-4-yl-2-oxidanyl-2-phenyl-propanoate

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 3-morpholin-4-yl-2-oxidanyl-2-phenyl-propanoate Openeye Name: (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-3-morpholino-2-phenyl-propanoate CAS Name: 2-hydroxy-3-(4-morpholinyl)-2-phenylpropanoic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-3-morpholin-4-yl-2-phenylpropanoate Traditional Name: 2-hydroxy-3-morpholino-2-phenyl-propionic acid (1-methylquinuclidin-1-ium-3-yl) ester Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)C(CN3CCOCC3)(C4=CC=CC=C4)O

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)OC(=O)C(CN3CCOCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C21H31N2O4/c1-23-11-7-17(8-12-23)19(15-23)27-20(24)21(25,18-5-3-2-4-6-18)16-22-9-13-26-14-10-22/h2-6,17,19,25H,7-16H2,1H3/q+1