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

Systemtic Name: 1-[3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]ethanone Formula: C17H26NO5+ MolecularWeight: 324.39204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)OC

InChI

InChI=1S/C17H25NO5/c1-12(19)13-3-4-16(17(9-13)22-2)23-11-15(21)10-18-7-5-14(20)6-8-18/h3-4,9,14-15,20-21H,5-8,10-11H2,1-2H3/p+1/t15-/m1/s1