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

Systemtic Name: N-(pyridin-2-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(2-pyridylmethyl)-4-[1-(thiazol-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-(2-pyridinylmethyl)-4-[[1-(2-thiazolylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(pyridin-2-ylmethyl)-4-[1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-(2-pyridylmethyl)-4-[1-(thiazol-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)CC4=NC=CS4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)CC4=NC=CS4

InChI

InChI=1S/C22H24N4O2S/c27-22(25-15-18-3-1-2-10-23-18)17-4-6-19(7-5-17)28-20-8-12-26(13-9-20)16-21-24-11-14-29-21/h1-7,10-11,14,20H,8-9,12-13,15-16H2,(H,25,27)/p+1