1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]-4-(2-thienyl)butan-1-one CAS Name: 1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]-4-(2-thienyl)butan-1-one Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)O)C(=O)CCCC3=CC=CS3

Isomeric SMILES

C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C21H27NO2S/c1-16-15-22(20(24)10-4-8-19-9-5-13-25-19)12-11-21(16,2)17-6-3-7-18(23)14-17/h3,5-7,9,13-14,16,23H,4,8,10-12,15H2,1-2H3/t16-,21+/m0/s1