[(3R,4S)-1-ethyl-4-(4-hydroxyphenyl)-4-oxidanyl-piperidin-1-ium-3-yl]-(4-hydroxyphenyl)methanone chloride

Systemtic Name: [(3R,4S)-1-ethyl-4-(4-hydroxyphenyl)-4-oxidanyl-piperidin-1-ium-3-yl]-(4-hydroxyphenyl)methanone chloride Openeye Name: [(3R,4S)-1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)piperidin-1-ium-3-yl]-(4-hydroxyphenyl)methanone chloride CAS Name: [(3R,4S)-1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)-3-piperidin-1-iumyl]-(4-hydroxyphenyl)methanone chloride IUPAC Name: [(3R,4S)-1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)piperidin-1-ium-3-yl]-(4-hydroxyphenyl)methanone chloride Traditional Name: [(3R,4S)-1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)piperidin-1-ium-3-yl]-(4-hydroxyphenyl)methanone chloride Formula: C20H24ClNO4 MolecularWeight: 377.86186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(C(C1)C(=O)C2=CC=C(C=C2)O)(C3=CC=C(C=C3)O)O.[Cl-]

Isomeric SMILES

CC[NH+]1CC[C@]([C@@H](C1)C(=O)C2=CC=C(C=C2)O)(C3=CC=C(C=C3)O)O.[Cl-]

InChI

InChI=1S/C20H23NO4.ClH/c1-2-21-12-11-20(25,15-5-9-17(23)10-6-15)18(13-21)19(24)14-3-7-16(22)8-4-14;/h3-10,18,22-23,25H,2,11-13H2,1H3;1H/t18-,20+;/m0./s1