N-(6-phenoxypyridin-3-yl)-1-(thian-4-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(6-phenoxypyridin-3-yl)-1-(thian-4-yl)piperidin-1-ium-4-carboxamide Openeye Name: N-(6-phenoxy-3-pyridyl)-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-4-carboxamide CAS Name: N-(6-phenoxy-3-pyridinyl)-1-(4-thianyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-(6-phenoxypyridin-3-yl)-1-(thian-4-yl)piperidin-1-ium-4-carboxamide Traditional Name: N-(6-phenoxy-3-pyridyl)-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-4-carboxamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)C4CCSCC4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)C4CCSCC4

InChI

InChI=1S/C22H27N3O2S/c26-22(17-8-12-25(13-9-17)19-10-14-28-15-11-19)24-18-6-7-21(23-16-18)27-20-4-2-1-3-5-20/h1-7,16-17,19H,8-15H2,(H,24,26)/p+1