[6-azanyl-2-ethyl-4-(2-methylazocan-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide

Systemtic Name: [6-azanyl-2-ethyl-4-(2-methylazocan-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [6-amino-2-ethyl-4-(2-methylazocan-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [6-amino-2-ethyl-4-(2-methyl-1-azocanyl)-1-pyrimidin-1-iumyl] ester hydroxide IUPAC Name: [6-amino-2-ethyl-4-(2-methylazocan-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [6-amino-2-ethyl-4-(2-methylazocan-1-yl)pyrimidin-1-ium-1-yl] ester hydroxide Formula: C14H26N4O5S MolecularWeight: 362.44504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=[N+]1OS(=O)(=O)O)N)N2CCCCCCC2C.[OH-]

Isomeric SMILES

CCC1=NC(=CC(=[N+]1OS(=O)(=O)O)N)N2CCCCCCC2C.[OH-]

InChI

InChI=1S/C14H24N4O4S.H2O/c1-3-13-16-14(10-12(15)18(13)22-23(19,20)21)17-9-7-5-4-6-8-11(17)2;/h10-11,15H,3-9H2,1-2H3,(H,19,20,21);1H2