[1-[2,6-bis(azanyl)piperidin-4-yl]-4H-pyrimidin-1-ium-3-yl] hydrogen sulfate

Systemtic Name: [1-[2,6-bis(azanyl)piperidin-4-yl]-4H-pyrimidin-1-ium-3-yl] hydrogen sulfate Openeye Name: [1-(2,6-diamino-4-piperidyl)-4H-pyrimidin-1-ium-3-yl] hydrogen sulfate CAS Name: sulfuric acid [1-(2,6-diamino-4-piperidinyl)-4H-pyrimidin-1-ium-3-yl] ester IUPAC Name: [1-(2,6-diaminopiperidin-4-yl)-4H-pyrimidin-1-ium-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [1-(2,6-diamino-4-piperidyl)-4H-pyrimidin-1-ium-3-yl] ester Formula: C9H18N5O4S+ MolecularWeight: 292.33532

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C[N+](=CN1OS(=O)(=O)O)C2CC(NC(C2)N)N

Isomeric SMILES

C1C=C[N+](=CN1OS(=O)(=O)O)C2CC(NC(C2)N)N

InChI

InChI=1S/C9H17N5O4S/c10-8-4-7(5-9(11)12-8)13-2-1-3-14(6-13)18-19(15,16)17/h1-2,6-9,12H,3-5,10-11H2/p+1