propan-2-yl 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2R,6R)-2,6-dimethyl-4-morpholin-4-iumyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)CC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C18H26N2O4/c1-12(2)23-18(22)15-5-7-16(8-6-15)19-17(21)11-20-9-13(3)24-14(4)10-20/h5-8,12-14H,9-11H2,1-4H3,(H,19,21)/p+1/t13-,14-/m1/s1