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

Systemtic Name: [2-[4,6-bis(azanyl)piperidin-2-yl]pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2-(4,6-diamino-2-piperidyl)pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(4,6-diamino-2-piperidinyl)-1-pyrimidin-1-iumyl] ester IUPAC Name: [2-(4,6-diaminopiperidin-2-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(4,6-diamino-2-piperidyl)pyrimidin-1-ium-1-yl] ester Formula: C9H16N5O4S+ MolecularWeight: 290.31944

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(NC1C2=NC=CC=[N+]2OS(=O)(=O)O)N)N

Isomeric SMILES

C1C(CC(NC1C2=NC=CC=[N+]2OS(=O)(=O)O)N)N

InChI

InChI=1S/C9H15N5O4S/c10-6-4-7(13-8(11)5-6)9-12-2-1-3-14(9)18-19(15,16)17/h1-3,6-8,13H,4-5,10-11H2/p+1