N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(2-methylsulfanylphenyl)carbonylpiperidin-4-yl]propanamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(2-methylsulfanylphenyl)carbonylpiperidin-4-yl]propanamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(2-methylsulfanylbenzoyl)-4-piperidyl]propanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[1-[[2-(methylthio)phenyl]-oxomethyl]-4-piperidinyl]propanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(2-methylsulfanylbenzoyl)piperidin-4-yl]propanamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[2-(methylthio)benzoyl]-4-piperidyl]propionamide Formula: C23H36N3O2S+ MolecularWeight: 418.61584

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CCN(CC2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CCN(CC2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C23H35N3O2S/c1-3-25-14-6-7-19(25)17-24-22(27)11-10-18-12-15-26(16-13-18)23(28)20-8-4-5-9-21(20)29-2/h4-5,8-9,18-19H,3,6-7,10-17H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1