2-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-1-pyridin-1-ium-1-yl-ethanone

Systemtic Name: 2-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-1-pyridin-1-ium-1-yl-ethanone Openeye Name: 2-[[4-(diethylamino)-6-morpholino-1,3,5-triazin-2-yl]sulfanyl]-1-pyridin-1-ium-1-yl-ethanone CAS Name: 2-[[4-(diethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio]-1-(1-pyridin-1-iumyl)ethanone IUPAC Name: 2-[[4-(diethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-1-pyridin-1-ium-1-ylethanone Traditional Name: 2-[[4-(diethylamino)-6-morpholino-s-triazin-2-yl]thio]-1-pyridin-1-ium-1-yl-ethanone Formula: C18H25N6O2S+ MolecularWeight: 389.4951

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=N1)N2CCOCC2)SCC(=O)[N+]3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=NC(=NC(=N1)N2CCOCC2)SCC(=O)[N+]3=CC=CC=C3

InChI

InChI=1S/C18H25N6O2S/c1-3-22(4-2)16-19-17(24-10-12-26-13-11-24)21-18(20-16)27-14-15(25)23-8-6-5-7-9-23/h5-9H,3-4,10-14H2,1-2H3/q+1