2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-N-[2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]-N-(2-piperidin-1-ium-1-ylethyl)acetamide Formula: C17H27ClN5OS+ MolecularWeight: 384.94718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCCC3

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCCC3

InChI

InChI=1S/C17H26ClN5OS/c18-14-12-15(23-9-4-5-10-23)21-17(20-14)25-13-16(24)19-6-11-22-7-2-1-3-8-22/h12H,1-11,13H2,(H,19,24)/p+1