1-[5-ethyl-4-(4-morpholin-4-ium-4-ylbutoxy)-2-oxidanyl-phenyl]ethanone chloride

Systemtic Name: 1-[5-ethyl-4-(4-morpholin-4-ium-4-ylbutoxy)-2-oxidanyl-phenyl]ethanone chloride Openeye Name: 1-[5-ethyl-2-hydroxy-4-(4-morpholin-4-ium-4-ylbutoxy)phenyl]ethanone chloride CAS Name: 1-[5-ethyl-2-hydroxy-4-[4-(4-morpholin-4-iumyl)butoxy]phenyl]ethanone chloride IUPAC Name: 1-[5-ethyl-2-hydroxy-4-(4-morpholin-4-ium-4-ylbutoxy)phenyl]ethanone chloride Traditional Name: 1-[5-ethyl-2-hydroxy-4-(4-morpholin-4-ium-4-ylbutoxy)phenyl]ethanone chloride Formula: C18H28ClNO4 MolecularWeight: 357.87222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCC[NH+]2CCOCC2.[Cl-]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCC[NH+]2CCOCC2.[Cl-]

InChI

InChI=1S/C18H27NO4.ClH/c1-3-15-12-16(14(2)20)17(21)13-18(15)23-9-5-4-6-19-7-10-22-11-8-19;/h12-13,21H,3-11H2,1-2H3;1H