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

Systemtic Name: methyl 4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H23N2O4+ MolecularWeight: 307.36482

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-11-8-18(9-12(2)22-11)10-15(19)17-14-6-4-13(5-7-14)16(20)21-3/h4-7,11-12H,8-10H2,1-3H3,(H,17,19)/p+1/t11-,12-/m1/s1