3-[1-(2-methylsulfanylethanoyl)piperidin-4-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide

Systemtic Name: 3-[1-(2-methylsulfanylethanoyl)piperidin-4-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(2-methylsulfanylacetyl)-4-piperidyl]propanamide CAS Name: 3-[1-[2-(methylthio)-1-oxoethyl]-4-piperidinyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(2-methylsulfanylacetyl)piperidin-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-[2-(methylthio)acetyl]-4-piperidyl]propionamide Formula: C22H34N3O2S+ MolecularWeight: 404.58926

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC(CC1)CCC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CSCC(=O)N1CCC(CC1)CCC(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2S/c1-28-17-22(27)25-13-9-18(10-14-25)7-8-21(26)23-20-11-12-24(16-20)15-19-5-3-2-4-6-19/h2-6,18,20H,7-17H2,1H3,(H,23,26)/p+1/t20-/m0/s1