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

Systemtic Name: [2-azanyl-4-(azetidin-1-yl)-6-butyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2-amino-4-(azetidin-1-yl)-6-butyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-4-(1-azetidinyl)-6-butyl-1,3,5-triazin-1-ium-1-yl] ester IUPAC Name: [2-amino-4-(azetidin-1-yl)-6-butyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-4-(azetidin-1-yl)-6-butyl-s-triazin-1-ium-1-yl] ester Formula: C10H18N5O4S+ MolecularWeight: 304.34602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCC2

Isomeric SMILES

CCCCC1=NC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCC2

InChI

InChI=1S/C10H17N5O4S/c1-2-3-5-8-12-10(14-6-4-7-14)13-9(11)15(8)19-20(16,17)18/h11H,2-7H2,1H3,(H,16,17,18)/p+1