2-[4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C16H23ClN5O2S+ MolecularWeight: 384.90412

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)Cl

InChI

InChI=1S/C16H22ClN5O2S/c1-25-16-18-10-12(17)14(19-16)15(24)22-8-6-20(7-9-22)11-13(23)21-4-2-3-5-21/h10H,2-9,11H2,1H3/p+1