[1-(azepan-1-yl)pyrimidin-1-ium-4-yl] hydrogen sulfate

Systemtic Name: [1-(azepan-1-yl)pyrimidin-1-ium-4-yl] hydrogen sulfate Openeye Name: [1-(azepan-1-yl)pyrimidin-1-ium-4-yl] hydrogen sulfate CAS Name: sulfuric acid [1-(1-azepanyl)-4-pyrimidin-1-iumyl] ester IUPAC Name: [1-(azepan-1-yl)pyrimidin-1-ium-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [1-(azepan-1-yl)pyrimidin-1-ium-4-yl] ester Formula: C10H16N3O4S+ MolecularWeight: 274.31674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)[N+]2=CN=C(C=C2)OS(=O)(=O)O

Isomeric SMILES

C1CCCN(CC1)[N+]2=CN=C(C=C2)OS(=O)(=O)O

InChI

InChI=1S/C10H15N3O4S/c14-18(15,16)17-10-5-8-13(9-11-10)12-6-3-1-2-4-7-12/h5,8-9H,1-4,6-7H2/p+1