(2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-piperazin-1-yl-2-thiophen-2-yl-ethanone

Systemtic Name: (2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-piperazin-1-yl-2-thiophen-2-yl-ethanone Openeye Name: (2S)-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1-piperazin-1-yl-2-(2-thienyl)ethanone CAS Name: (2S)-2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-1-(1-piperazinyl)-2-thiophen-2-ylethanone IUPAC Name: (2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-piperazin-1-yl-2-thiophen-2-ylethanone Traditional Name: (2S)-2-[(3S,5S)-3,5-dimethylpiperidino]-1-piperazino-2-(2-thienyl)ethanone Formula: C17H27N3OS MolecularWeight: 321.48078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(C2=CC=CS2)C(=O)N3CCNCC3)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)[C@H](C2=CC=CS2)C(=O)N3CCNCC3)C

InChI

InChI=1S/C17H27N3OS/c1-13-10-14(2)12-20(11-13)16(15-4-3-9-22-15)17(21)19-7-5-18-6-8-19/h3-4,9,13-14,16,18H,5-8,10-12H2,1-2H3/t13-,14-,16+/m0/s1