[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(6-thiomorpholin-4-ylpyridin-1-ium-3-yl)methanone

Systemtic Name: [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(6-thiomorpholin-4-ylpyridin-1-ium-3-yl)methanone Openeye Name: [(2S)-2-(2-pyrazol-1-ylethyl)-1-piperidyl]-(6-thiomorpholinopyridin-1-ium-3-yl)methanone CAS Name: [(2S)-2-[2-(1-pyrazolyl)ethyl]-1-piperidinyl]-(6-thiomorpholin-4-yl-3-pyridin-1-iumyl)methanone IUPAC Name: [(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(6-thiomorpholin-4-ylpyridin-1-ium-3-yl)methanone Traditional Name: [(2S)-2-(2-pyrazol-1-ylethyl)piperidino]-(6-thiomorpholinopyridin-1-ium-3-yl)methanone Formula: C20H28N5OS+ MolecularWeight: 386.53422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCN2C=CC=N2)C(=O)C3=C[NH+]=C(C=C3)N4CCSCC4

Isomeric SMILES

C1CCN([C@@H](C1)CCN2C=CC=N2)C(=O)C3=C[NH+]=C(C=C3)N4CCSCC4

InChI

InChI=1S/C20H27N5OS/c26-20(17-5-6-19(21-16-17)23-12-14-27-15-13-23)25-10-2-1-4-18(25)7-11-24-9-3-8-22-24/h3,5-6,8-9,16,18H,1-2,4,7,10-15H2/p+1/t18-/m0/s1