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

Systemtic Name: 5-methyl-N-(3-methylsulfanylpropyl)-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: 5-methyl-N-(3-methylsulfanylpropyl)-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: 5-methyl-N-[3-(methylthio)propyl]-2-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: 5-methyl-N-(3-methylsulfanylpropyl)-2-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: 5-methyl-N-[3-(methylthio)propyl]-2-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-18-4-5-22(21(16-18)23(27)25-10-3-15-29-2)28-20-8-13-26(14-9-20)17-19-6-11-24-12-7-19/h4-7,11-12,16,20H,3,8-10,13-15,17H2,1-2H3,(H,25,27)/p+1