methyl (3S)-2,2-dimethyl-3-morpholin-4-ium-4-yl-4-oxidanylidene-4-[[(1R)-1-phenylethyl]amino]butanoate

Systemtic Name: methyl (3S)-2,2-dimethyl-3-morpholin-4-ium-4-yl-4-oxidanylidene-4-[[(1R)-1-phenylethyl]amino]butanoate Openeye Name: methyl (3S)-2,2-dimethyl-3-morpholin-4-ium-4-yl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate CAS Name: (3S)-2,2-dimethyl-3-(4-morpholin-4-iumyl)-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (3S)-2,2-dimethyl-3-morpholin-4-ium-4-yl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoate Traditional Name: (3S)-4-keto-2,2-dimethyl-3-morpholin-4-ium-4-yl-4-[[(1R)-1-phenylethyl]amino]butyric acid methyl ester Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4/c1-14(15-8-6-5-7-9-15)20-17(22)16(19(2,3)18(23)24-4)21-10-12-25-13-11-21/h5-9,14,16H,10-13H2,1-4H3,(H,20,22)/p+1/t14-,16-/m1/s1