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

Systemtic Name: 3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-thiophen-2-yl-methyl]phenol Openeye Name: 3-[(S)-[(2S,5R)-4-allyl-2,5-dimethyl-piperazin-1-yl]-(2-thienyl)methyl]phenol CAS Name: 3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-thiophen-2-ylmethyl]phenol IUPAC Name: 3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-thiophen-2-ylmethyl]phenol Traditional Name: 3-[(S)-[(2S,5R)-4-allyl-2,5-dimethyl-piperazino]-(2-thienyl)methyl]phenol Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC(=CC=C2)O)C3=CC=CS3)C)CC=C

Isomeric SMILES

C[C@H]1CN([C@@H](CN1[C@@H](C2=CC(=CC=C2)O)C3=CC=CS3)C)CC=C

InChI

InChI=1S/C20H26N2OS/c1-4-10-21-13-16(3)22(14-15(21)2)20(19-9-6-11-24-19)17-7-5-8-18(23)12-17/h4-9,11-12,15-16,20,23H,1,10,13-14H2,2-3H3/t15-,16+,20+/m1/s1