2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methylsulfanylethyl)ethanamide

Systemtic Name: 2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methylsulfanylethyl)ethanamide Openeye Name: 2-[(3R,4S)-3-ethyl-1-(4-pyridylmethyl)piperidin-1-ium-4-yl]-N-(2-methylsulfanylethyl)acetamide CAS Name: 2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-N-[2-(methylthio)ethyl]acetamide IUPAC Name: 2-[(3R,4S)-3-ethyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methylsulfanylethyl)acetamide Traditional Name: 2-[(3R,4S)-3-ethyl-1-(4-pyridylmethyl)piperidin-1-ium-4-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C18H30N3OS+ MolecularWeight: 336.5153

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CCC1CC(=O)NCCSC)CC2=CC=NC=C2

Isomeric SMILES

CC[C@H]1C[NH+](CC[C@H]1CC(=O)NCCSC)CC2=CC=NC=C2

InChI

InChI=1S/C18H29N3OS/c1-3-16-14-21(13-15-4-7-19-8-5-15)10-6-17(16)12-18(22)20-9-11-23-2/h4-5,7-8,16-17H,3,6,9-14H2,1-2H3,(H,20,22)/p+1/t16-,17-/m0/s1