[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]-thiophen-3-yl-methanone

Systemtic Name: [(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]-thiophen-3-yl-methanone Openeye Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)-1-piperidyl]-(3-thienyl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazinyl)-1-piperidinyl]-(3-thiophenyl)methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazino)piperidino]-(3-thienyl)methanone Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1N2CCN(CC2)CCC3=CC=CC=C3)O)C(=O)C4=CSC=C4

Isomeric SMILES

C1CN(C[C@H]([C@@H]1N2CCN(CC2)CCC3=CC=CC=C3)O)C(=O)C4=CSC=C4

InChI

InChI=1S/C22H29N3O2S/c26-21-16-25(22(27)19-8-15-28-17-19)10-7-20(21)24-13-11-23(12-14-24)9-6-18-4-2-1-3-5-18/h1-5,8,15,17,20-21,26H,6-7,9-14,16H2/t20-,21-/m1/s1