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

Systemtic Name: N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[(2-isopropylthiazol-4-yl)methyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[(2-propan-2-yl-4-thiazolyl)methyl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[(2-isopropylthiazol-4-yl)methyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC(C)C1=NC(=CS1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H30N4O2S/c1-18(2)25-28-21(17-32-25)15-27-24(30)19-6-8-22(9-7-19)31-23-10-13-29(14-11-23)16-20-5-3-4-12-26-20/h3-9,12,17-18,23H,10-11,13-16H2,1-2H3,(H,27,30)/p+1