3-[(R)-[(2R,5S)-4-ethyl-2,5-dimethyl-piperazin-1-yl]-phenyl-methyl]phenol

Systemtic Name: 3-[(R)-[(2R,5S)-4-ethyl-2,5-dimethyl-piperazin-1-yl]-phenyl-methyl]phenol Openeye Name: 3-[(R)-[(2R,5S)-4-ethyl-2,5-dimethyl-piperazin-1-yl]-phenyl-methyl]phenol CAS Name: 3-[(R)-[(2R,5S)-4-ethyl-2,5-dimethyl-1-piperazinyl]-phenylmethyl]phenol IUPAC Name: 3-[(R)-[(2R,5S)-4-ethyl-2,5-dimethylpiperazin-1-yl]-phenylmethyl]phenol Traditional Name: 3-[(R)-[(2R,5S)-4-ethyl-2,5-dimethyl-piperazino]-phenyl-methyl]phenol Formula: C21H28N2O MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(N(CC1C)C(C2=CC=CC=C2)C3=CC(=CC=C3)O)C

Isomeric SMILES

CCN1C[C@H](N(C[C@@H]1C)[C@H](C2=CC=CC=C2)C3=CC(=CC=C3)O)C

InChI

InChI=1S/C21H28N2O/c1-4-22-14-17(3)23(15-16(22)2)21(18-9-6-5-7-10-18)19-11-8-12-20(24)13-19/h5-13,16-17,21,24H,4,14-15H2,1-3H3/t16-,17+,21+/m0/s1