(2S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[2-(ethylthio)-5-pyrimidinyl]methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[[2-(ethylthio)pyrimidin-5-yl]methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C24H28N5O2S+ MolecularWeight: 450.57642

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C=N1)C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCSC1=NC=C(C=N1)C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2S/c1-2-32-24-26-14-18(15-27-24)17-29-13-7-6-10-21(29)23(30)28-19-11-12-22(25-16-19)31-20-8-4-3-5-9-20/h3-5,8-9,11-12,14-16,21H,2,6-7,10,13,17H2,1H3,(H,28,30)/p+1/t21-/m0/s1