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

Systemtic Name: 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-1-pyridin-1-ium-1-yl-ethanone Openeye Name: 2-[[4-(isopropylamino)-6-morpholino-1,3,5-triazin-2-yl]sulfanyl]-1-pyridin-1-ium-1-yl-ethanone CAS Name: 2-[[4-(4-morpholinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]thio]-1-(1-pyridin-1-iumyl)ethanone IUPAC Name: 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-1-pyridin-1-ium-1-ylethanone Traditional Name: 2-[[4-(isopropylamino)-6-morpholino-s-triazin-2-yl]thio]-1-pyridin-1-ium-1-yl-ethanone Formula: C17H23N6O2S+ MolecularWeight: 375.46852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)[N+]3=CC=CC=C3

Isomeric SMILES

CC(C)NC1=NC(=NC(=N1)N2CCOCC2)SCC(=O)[N+]3=CC=CC=C3

InChI

InChI=1S/C17H23N6O2S/c1-13(2)18-15-19-16(23-8-10-25-11-9-23)21-17(20-15)26-12-14(24)22-6-4-3-5-7-22/h3-7,13H,8-12H2,1-2H3,(H,18,19,20,21)/q+1