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

Systemtic Name: [2-azanyl-4-(azocan-1-yl)-6-methyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2-amino-4-(azocan-1-yl)-6-methyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-4-(1-azocanyl)-6-methyl-1,3,5-triazin-1-ium-1-yl] ester IUPAC Name: [2-amino-4-(azocan-1-yl)-6-methyl-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-4-(azocan-1-yl)-6-methyl-s-triazin-1-ium-1-yl] ester Formula: C11H20N5O4S+ MolecularWeight: 318.3726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N5O4S/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)/p+1