[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4/c1-14(17(22)20-19(2,3)4)25-18(23)16-7-5-15(6-8-16)13-21-9-11-24-12-10-21/h5-8,14H,9-13H2,1-4H3,(H,20,22)/p+1/t14-/m1/s1