N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-4-yl]propanamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-4-yl]propanamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)-4-piperidyl]propanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[1-[1-oxo-2-(2-pyrimidinylthio)ethyl]-4-piperidinyl]propanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-4-yl]propanamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[2-(2-pyrimidylthio)acetyl]-4-piperidyl]propionamide Formula: C21H34N5O2S+ MolecularWeight: 420.59196

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CCN(CC2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CCN(CC2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C21H33N5O2S/c1-2-25-12-3-5-18(25)15-24-19(27)7-6-17-8-13-26(14-9-17)20(28)16-29-21-22-10-4-11-23-21/h4,10-11,17-18H,2-3,5-9,12-16H2,1H3,(H,24,27)/p+1/t18-/m0/s1