[2-azanyl-4-(2-ethylaziridin-1-yl)-6-(propylamino)-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate

Systemtic Name: [2-azanyl-4-(2-ethylaziridin-1-yl)-6-(propylamino)-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2-amino-4-(2-ethylaziridin-1-yl)-6-(propylamino)-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-4-(2-ethyl-1-aziridinyl)-6-(propylamino)-1,3,5-triazin-1-ium-1-yl] ester IUPAC Name: [2-amino-4-(2-ethylaziridin-1-yl)-6-(propylamino)-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-4-(2-ethylethylenimin-1-yl)-6-(propylamino)-s-triazin-1-ium-1-yl] ester Formula: C10H19N6O4S+ MolecularWeight: 319.36066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC(=[N+]1OS(=O)(=O)O)N)N2CC2CC

Isomeric SMILES

CCCNC1=NC(=NC(=[N+]1OS(=O)(=O)O)N)N2CC2CC

InChI

InChI=1S/C10H18N6O4S/c1-3-5-12-9-14-10(15-6-7(15)4-2)13-8(11)16(9)20-21(17,18)19/h7H,3-6H2,1-2H3,(H3,11,12,13,14,17,18,19)/p+1