N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-methylsulfanyl-propanamide Openeye Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-methylsulfanyl-propanamide CAS Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-3-(methylthio)propanamide IUPAC Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-methylsulfanylpropanamide Traditional Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-(methylthio)propionamide Formula: C21H35N2O2S+ MolecularWeight: 379.5798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCC[NH+](C1)CCC2=CC(=CC=C2)OC)C(=O)CCSC

Isomeric SMILES

CCN(C[C@H]1CCC[NH+](C1)CCC2=CC(=CC=C2)OC)C(=O)CCSC

InChI

InChI=1S/C21H34N2O2S/c1-4-23(21(24)11-14-26-3)17-19-8-6-12-22(16-19)13-10-18-7-5-9-20(15-18)25-2/h5,7,9,15,19H,4,6,8,10-14,16-17H2,1-3H3/p+1/t19-/m0/s1