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

Systemtic Name: 2-[4-chloranyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[[4-chloro-6-(4-ethyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]-N-[2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]-N-(2-piperidin-1-ium-1-ylethyl)acetamide Formula: C19H33ClN6OS+2 MolecularWeight: 429.02292

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC[NH+]3CCCCC3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC[NH+]3CCCCC3)Cl

InChI

InChI=1S/C19H31ClN6OS/c1-2-24-10-12-26(13-11-24)17-14-16(20)22-19(23-17)28-15-18(27)21-6-9-25-7-4-3-5-8-25/h14H,2-13,15H2,1H3,(H,21,27)/p+2