2-[2-[4-chloranyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-yl]sulfanylethanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[4-chloranyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-yl]sulfanylethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[4-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-yl]sulfanylacetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[[4-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[4-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-yl]sulfanylacetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[[4-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-yl]thio]acetyl]amino]ethyl-dimethyl-ammonium Formula: C17H27ClN5O3S+ MolecularWeight: 416.94598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCC3(CC2)OCCO3

Isomeric SMILES

C[NH+](C)CCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCC3(CC2)OCCO3

InChI

InChI=1S/C17H26ClN5O3S/c1-22(2)8-5-19-15(24)12-27-16-20-13(18)11-14(21-16)23-6-3-17(4-7-23)25-9-10-26-17/h11H,3-10,12H2,1-2H3,(H,19,24)/p+1