methyl 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-11-5-6-14(17(21)22-4)7-15(11)18-16(20)10-19-8-12(2)23-13(3)9-19/h5-7,12-13H,8-10H2,1-4H3,(H,18,20)/p+1/t12-,13-/m0/s1