2-pyrimidin-2-ylsulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-pyrimidin-2-ylsulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-pyrimidin-2-ylsulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(2-pyrimidinylthio)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-pyrimidin-2-ylsulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(2-pyrimidylthio)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H20N4OS/c22-16(13-23-17-18-8-3-9-19-17)20-15-6-4-14(5-7-15)12-21-10-1-2-11-21/h3-9H,1-2,10-13H2,(H,20,22)/p+1