(3S)-3-(4-methoxyphenyl)-3-morpholin-4-ium-4-yl-propanoate

Systemtic Name: (3S)-3-(4-methoxyphenyl)-3-morpholin-4-ium-4-yl-propanoate Openeye Name: (3S)-3-(4-methoxyphenyl)-3-morpholin-4-ium-4-yl-propanoate CAS Name: (3S)-3-(4-methoxyphenyl)-3-(4-morpholin-4-iumyl)propanoate IUPAC Name: (3S)-3-(4-methoxyphenyl)-3-morpholin-4-ium-4-ylpropanoate Traditional Name: (3S)-3-(4-methoxyphenyl)-3-morpholin-4-ium-4-yl-propionate Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)[O-])[NH+]2CCOCC2

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)[O-])[NH+]2CCOCC2

InChI

InChI=1S/C14H19NO4/c1-18-12-4-2-11(3-5-12)13(10-14(16)17)15-6-8-19-9-7-15/h2-5,13H,6-10H2,1H3,(H,16,17)/t13-/m0/s1