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

Systemtic Name: [(2R)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [(1R)-2-(isopropylamino)-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-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [(1R)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-13(2)19-17(21)14(3)24-18(22)16-6-4-15(5-7-16)12-20-8-10-23-11-9-20/h4-7,13-14H,8-12H2,1-3H3,(H,19,21)/p+1/t14-/m1/s1