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

Systemtic Name: [6-azanyl-2-ethyl-4-(2-methylazocan-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [6-amino-2-ethyl-4-(2-methylazocan-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [6-amino-2-ethyl-4-(2-methyl-1-azocanyl)-1-pyrimidin-1-iumyl] ester IUPAC Name: [6-amino-2-ethyl-4-(2-methylazocan-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [6-amino-2-ethyl-4-(2-methylazocan-1-yl)pyrimidin-1-ium-1-yl] ester Formula: C14H25N4O4S+ MolecularWeight: 345.4377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O4S/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)/p+1