3-[(3R,4S)-3,4-dimethyl-1-(3-pyrrol-1-ylpropyl)piperidin-2-yl]phenol

Systemtic Name: 3-[(3R,4S)-3,4-dimethyl-1-(3-pyrrol-1-ylpropyl)piperidin-2-yl]phenol Openeye Name: 3-[(3R,4S)-3,4-dimethyl-1-(3-pyrrol-1-ylpropyl)-2-piperidyl]phenol CAS Name: 3-[(3R,4S)-3,4-dimethyl-1-[3-(1-pyrrolyl)propyl]-2-piperidinyl]phenol IUPAC Name: 3-[(3R,4S)-3,4-dimethyl-1-(3-pyrrol-1-ylpropyl)piperidin-2-yl]phenol Traditional Name: 3-[(3R,4S)-3,4-dimethyl-1-(3-pyrrol-1-ylpropyl)-2-piperidyl]phenol Formula: C20H28N2O MolecularWeight: 312.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1C)C2=CC(=CC=C2)O)CCCN3C=CC=C3

Isomeric SMILES

C[C@H]1CCN(C([C@@H]1C)C2=CC(=CC=C2)O)CCCN3C=CC=C3

InChI

InChI=1S/C20H28N2O/c1-16-9-14-22(13-6-12-21-10-3-4-11-21)20(17(16)2)18-7-5-8-19(23)15-18/h3-5,7-8,10-11,15-17,20,23H,6,9,12-14H2,1-2H3/t16-,17+,20?/m0/s1