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

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-3-8-19-17(21)14(2)24-18(22)16-6-4-15(5-7-16)13-20-9-11-23-12-10-20/h3-7,14H,1,8-13H2,2H3,(H,19,21)/p+1/t14-/m1/s1