N-(pyridin-2-ylmethyl)-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-(pyridin-2-ylmethyl)-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(2-pyridylmethyl)-3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-(2-pyridinylmethyl)-3-[[1-(4-thianyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(pyridin-2-ylmethyl)-3-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-(2-pyridylmethyl)-3-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3)C4CCSCC4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3)C4CCSCC4

InChI

InChI=1S/C23H29N3O2S/c27-23(25-17-19-5-1-2-11-24-19)18-4-3-6-22(16-18)28-21-7-12-26(13-8-21)20-9-14-29-15-10-20/h1-6,11,16,20-21H,7-10,12-15,17H2,(H,25,27)/p+1