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

Systemtic Name: [2-azanyl-6-ethyl-4-(2-methylazocan-1-yl)-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2-amino-6-ethyl-4-(2-methylazocan-1-yl)-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-6-ethyl-4-(2-methyl-1-azocanyl)-1,3,5-triazin-1-ium-1-yl] ester IUPAC Name: [2-amino-6-ethyl-4-(2-methylazocan-1-yl)-1,3,5-triazin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-6-ethyl-4-(2-methylazocan-1-yl)-s-triazin-1-ium-1-yl] ester Formula: C13H24N5O4S+ MolecularWeight: 346.42576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCCCCCC2C

Isomeric SMILES

CCC1=NC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCCCCCC2C

InChI

InChI=1S/C13H23N5O4S/c1-3-11-15-13(16-12(14)18(11)22-23(19,20)21)17-9-7-5-4-6-8-10(17)2/h10,14H,3-9H2,1-2H3,(H,19,20,21)/p+1