pyridin-3-yl-[(3S)-3-[[4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone

Systemtic Name: pyridin-3-yl-[(3S)-3-[[4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone Openeye Name: 3-pyridyl-[(3S)-3-[[4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]methyl]-1-piperidyl]methanone CAS Name: 3-pyridinyl-[(3S)-3-[[4-(4-thiomorpholin-4-iumylmethyl)phenoxy]methyl]-1-piperidinyl]methanone IUPAC Name: pyridin-3-yl-[(3S)-3-[[4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone Traditional Name: 3-pyridyl-[(3S)-3-[[4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]methyl]piperidino]methanone Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CN=CC=C2)COC3=CC=C(C=C3)C[NH+]4CCSCC4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CN=CC=C2)COC3=CC=C(C=C3)C[NH+]4CCSCC4

InChI

InChI=1S/C23H29N3O2S/c27-23(21-4-1-9-24-15-21)26-10-2-3-20(17-26)18-28-22-7-5-19(6-8-22)16-25-11-13-29-14-12-25/h1,4-9,15,20H,2-3,10-14,16-18H2/p+1/t20-/m0/s1