2-[2-[4-chloranyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylethanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[4-chloranyl-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylacetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[[4-chloro-6-(4-ethyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanylacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[[4-chloro-6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]acetyl]amino]ethyl-dimethyl-ammonium Formula: C16H29ClN6OS+2 MolecularWeight: 388.95906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27ClN6OS/c1-4-22-7-9-23(10-8-22)14-11-13(17)19-16(20-14)25-12-15(24)18-5-6-21(2)3/h11H,4-10,12H2,1-3H3,(H,18,24)/p+2