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

Systemtic Name: N-(pyridin-2-ylmethyl)-4-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(2-pyridylmethyl)-4-(1-tetrahydrothiopyran-4-ylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-(2-pyridinylmethyl)-4-[[1-(4-thianyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(pyridin-2-ylmethyl)-4-[1-(thian-4-yl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-(2-pyridylmethyl)-4-(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=C(C=C2)C(=O)NCC3=CC=CC=N3)C4CCSCC4

Isomeric SMILES

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

InChI

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