(2S)-2-(3-methoxyphenyl)-4-morpholin-4-ium-4-yl-butanoate

Systemtic Name: (2S)-2-(3-methoxyphenyl)-4-morpholin-4-ium-4-yl-butanoate Openeye Name: (2S)-2-(3-methoxyphenyl)-4-morpholin-4-ium-4-yl-butanoate CAS Name: (2S)-2-(3-methoxyphenyl)-4-(4-morpholin-4-iumyl)butanoate IUPAC Name: (2S)-2-(3-methoxyphenyl)-4-morpholin-4-ium-4-ylbutanoate Traditional Name: (2S)-2-(3-methoxyphenyl)-4-morpholin-4-ium-4-yl-butyrate Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-19-13-4-2-3-12(11-13)14(15(17)18)5-6-16-7-9-20-10-8-16/h2-4,11,14H,5-10H2,1H3,(H,17,18)/t14-/m0/s1