1-[3-methoxy-4-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]ethanone Formula: C16H24NO5+ MolecularWeight: 310.36546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5/c1-12(18)13-3-4-15(16(9-13)20-2)22-11-14(19)10-17-5-7-21-8-6-17/h3-4,9,14,19H,5-8,10-11H2,1-2H3/p+1/t14-/m0/s1