[2-azanyl-4-(azocan-1-yl)-6-methyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate hydroxide

Systemtic Name: [2-azanyl-4-(azocan-1-yl)-6-methyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [2-amino-4-(azocan-1-yl)-6-methyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [2-amino-4-(1-azocanyl)-6-methyl-1,3,5-triazin-1-ium-1-yl] ester hydroxide IUPAC Name: [2-amino-4-(azocan-1-yl)-6-methyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [2-amino-4-(azocan-1-yl)-6-methyl-s-triazin-1-ium-1-yl] ester hydroxide Formula: C11H21N5O5S MolecularWeight: 335.37994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCCCCCC2.[OH-]

Isomeric SMILES

CC1=NC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCCCCCC2.[OH-]

InChI

InChI=1S/C11H19N5O4S.H2O/c1-9-13-11(15-7-5-3-2-4-6-8-15)14-10(12)16(9)20-21(17,18)19;/h12H,2-8H2,1H3,(H,17,18,19);1H2