3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-pyridin-3-yl-methyl]phenol

Systemtic Name: 3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-pyridin-3-yl-methyl]phenol Openeye Name: 3-[(S)-[(2S,5R)-4-allyl-2,5-dimethyl-piperazin-1-yl]-(3-pyridyl)methyl]phenol CAS Name: 3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-(3-pyridinyl)methyl]phenol IUPAC Name: 3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-pyridin-3-ylmethyl]phenol Traditional Name: 3-[(S)-[(2S,5R)-4-allyl-2,5-dimethyl-piperazino]-(3-pyridyl)methyl]phenol Formula: C21H27N3O MolecularWeight: 337.45858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC(=CC=C2)O)C3=CN=CC=C3)C)CC=C

Isomeric SMILES

C[C@H]1CN([C@@H](CN1[C@@H](C2=CC(=CC=C2)O)C3=CN=CC=C3)C)CC=C

InChI

InChI=1S/C21H27N3O/c1-4-11-23-14-17(3)24(15-16(23)2)21(19-8-6-10-22-13-19)18-7-5-9-20(25)12-18/h4-10,12-13,16-17,21,25H,1,11,14-15H2,2-3H3/t16-,17+,21+/m1/s1