2-diethylaminoethyl 3-oxidanyl-2-phenyl-octanoate chloride

Systemtic Name: 2-diethylaminoethyl 3-oxidanyl-2-phenyl-octanoate chloride Openeye Name: 2-diethylaminoethyl 3-hydroxy-2-phenyl-octanoate chloride CAS Name: 3-hydroxy-2-phenyloctanoic acid 2-diethylaminoethyl ester chloride IUPAC Name: 2-diethylaminoethyl 3-hydroxy-2-phenyloctanoate chloride Traditional Name: 3-hydroxy-2-phenyl-caprylic acid 2-diethylaminoethyl ester chloride Formula: C20H33ClNO3- MolecularWeight: 370.93392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C1=CC=CC=C1)C(=O)OCCN(CC)CC)O.[Cl-]

Isomeric SMILES

CCCCCC(C(C1=CC=CC=C1)C(=O)OCCN(CC)CC)O.[Cl-]

InChI

InChI=1S/C20H33NO3.ClH/c1-4-7-9-14-18(22)19(17-12-10-8-11-13-17)20(23)24-16-15-21(5-2)6-3;/h8,10-13,18-19,22H,4-7,9,14-16H2,1-3H3;1H/p-1