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

Systemtic Name: N-(3-methylsulfanylpropyl)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(3-methylsulfanylpropyl)-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[3-(methylthio)propyl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[3-(methylthio)propyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CSCCCNC(=O)C1=CC=C(C=C1)OC2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H29N3O2S/c1-28-16-4-13-24-22(26)18-6-8-20(9-7-18)27-21-10-14-25(15-11-21)17-19-5-2-3-12-23-19/h2-3,5-9,12,21H,4,10-11,13-17H2,1H3,(H,24,26)/p+1