2-[(3S,4R)-3-ethyl-1-methyl-4-phenyl-piperidin-4-yl]propanoate hydrochloride

Systemtic Name: 2-[(3S,4R)-3-ethyl-1-methyl-4-phenyl-piperidin-4-yl]propanoate hydrochloride Openeye Name: 2-[(3S,4R)-3-ethyl-1-methyl-4-phenyl-4-piperidyl]propanoate hydrochloride CAS Name: 2-[(3S,4R)-3-ethyl-1-methyl-4-phenyl-4-piperidinyl]propanoate hydrochloride IUPAC Name: 2-[(3S,4R)-3-ethyl-1-methyl-4-phenylpiperidin-4-yl]propanoate hydrochloride Traditional Name: 2-[(3S,4R)-3-ethyl-1-methyl-4-phenyl-4-piperidyl]propionate hydrochloride Formula: C17H25ClNO2- MolecularWeight: 310.8389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1(C2=CC=CC=C2)C(C)C(=O)[O-])C.Cl

Isomeric SMILES

CC[C@@H]1CN(CC[C@]1(C2=CC=CC=C2)C(C)C(=O)[O-])C.Cl

InChI

InChI=1S/C17H25NO2.ClH/c1-4-14-12-18(3)11-10-17(14,13(2)16(19)20)15-8-6-5-7-9-15;/h5-9,13-14H,4,10-12H2,1-3H3,(H,19,20);1H/p-1/t13?,14-,17+;/m1./s1