[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H28N3O5+ MolecularWeight: 378.44272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5/c1-19(2,3)21-18(25)20-16(23)13-27-17(24)15-6-4-14(5-7-15)12-22-8-10-26-11-9-22/h4-7H,8-13H2,1-3H3,(H2,20,21,23,25)/p+1