1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-5-methyl-hexan-1-one

Systemtic Name: 1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-5-methyl-hexan-1-one Openeye Name: 1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]-5-methyl-hexan-1-one CAS Name: 1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-5-methyl-1-hexanone IUPAC Name: 1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-5-methylhexan-1-one Traditional Name: 1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]-5-methyl-hexan-1-one Formula: C20H31NO2 MolecularWeight: 317.46564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)O)C(=O)CCCC(C)C

Isomeric SMILES

C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C(=O)CCCC(C)C

InChI

InChI=1S/C20H31NO2/c1-15(2)7-5-10-19(23)21-12-11-20(4,16(3)14-21)17-8-6-9-18(22)13-17/h6,8-9,13,15-16,22H,5,7,10-12,14H2,1-4H3/t16-,20+/m0/s1