[2-azanyl-4-(cyclooctylamino)-6-methyl-pyrimidin-1-ium-1-yl] hydrogen sulfate

Systemtic Name: [2-azanyl-4-(cyclooctylamino)-6-methyl-pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2-amino-4-(cyclooctylamino)-6-methyl-pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-4-(cyclooctylamino)-6-methyl-1-pyrimidin-1-iumyl] ester IUPAC Name: [2-amino-4-(cyclooctylamino)-6-methylpyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-4-(cyclooctylamino)-6-methyl-pyrimidin-1-ium-1-yl] ester Formula: C13H23N4O4S+ MolecularWeight: 331.41112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=[N+]1OS(=O)(=O)O)N)NC2CCCCCCC2

Isomeric SMILES

CC1=CC(=NC(=[N+]1OS(=O)(=O)O)N)NC2CCCCCCC2

InChI

InChI=1S/C13H22N4O4S/c1-10-9-12(15-11-7-5-3-2-4-6-8-11)16-13(14)17(10)21-22(18,19)20/h9,11H,2-8H2,1H3,(H3,14,15,16,18,19,20)/p+1