1-[(2R)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C23H29N2O5+ MolecularWeight: 413.48676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)O

InChI

InChI=1S/C23H28N2O5/c1-16(26)17-6-8-20(9-7-17)30-15-19(27)14-25-12-10-18(11-13-25)23(29)24-21-4-2-3-5-22(21)28/h2-9,18-19,27-28H,10-15H2,1H3,(H,24,29)/p+1/t19-/m1/s1