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

Systemtic Name: 5-methyl-N-(2-methylsulfanylethyl)-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: 5-methyl-N-(2-methylsulfanylethyl)-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: 5-methyl-N-[2-(methylthio)ethyl]-2-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: 5-methyl-N-(2-methylsulfanylethyl)-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: 5-methyl-N-[2-(methylthio)ethyl]-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)NCCSC

Isomeric SMILES

CC1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)NCCSC

InChI

InChI=1S/C22H29N3O2S/c1-17-3-4-21(20(15-17)22(26)24-11-14-28-2)27-19-7-12-25(13-8-19)16-18-5-9-23-10-6-18/h3-6,9-10,15,19H,7-8,11-14,16H2,1-2H3,(H,24,26)/p+1