[(2R)-1-morpholin-4-ium-4-ylpropan-2-yl] 4-methylbenzoate

Systemtic Name: [(2R)-1-morpholin-4-ium-4-ylpropan-2-yl] 4-methylbenzoate Openeye Name: [(1R)-1-methyl-2-morpholin-4-ium-4-yl-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R)-1-(4-morpholin-4-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-morpholin-4-ium-4-ylpropan-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(1R)-1-methyl-2-morpholin-4-ium-4-yl-ethyl] ester Formula: C15H22NO3+ MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C)C[NH+]2CCOCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H](C)C[NH+]2CCOCC2

InChI

InChI=1S/C15H21NO3/c1-12-3-5-14(6-4-12)15(17)19-13(2)11-16-7-9-18-10-8-16/h3-6,13H,7-11H2,1-2H3/p+1/t13-/m1/s1