(3S,4S)-4-(4-pyridin-2-ylpiperazin-1-yl)-1-(thian-4-yl)pyrrolidin-3-ol

Systemtic Name: (3S,4S)-4-(4-pyridin-2-ylpiperazin-1-yl)-1-(thian-4-yl)pyrrolidin-3-ol Openeye Name: (3S,4S)-4-[4-(2-pyridyl)piperazin-1-yl]-1-tetrahydrothiopyran-4-yl-pyrrolidin-3-ol CAS Name: (3S,4S)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-(4-thianyl)-3-pyrrolidinol IUPAC Name: (3S,4S)-4-(4-pyridin-2-ylpiperazin-1-yl)-1-(thian-4-yl)pyrrolidin-3-ol Traditional Name: (3S,4S)-4-[4-(2-pyridyl)piperazino]-1-tetrahydrothiopyran-4-yl-pyrrolidin-3-ol Formula: C18H28N4OS MolecularWeight: 348.50612

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1N2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CSCCC1N2C[C@@H]([C@H](C2)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C18H28N4OS/c23-17-14-22(15-4-11-24-12-5-15)13-16(17)20-7-9-21(10-8-20)18-3-1-2-6-19-18/h1-3,6,15-17,23H,4-5,7-14H2/t16-,17-/m0/s1