[2,6-bis(azanyl)-4-(3-propan-2-ylpiperidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide

Systemtic Name: [2,6-bis(azanyl)-4-(3-propan-2-ylpiperidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Openeye Name: [2,6-diamino-4-(3-isopropyl-1-piperidyl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide CAS Name: sulfuric acid [2,6-diamino-4-(3-propan-2-yl-1-piperidinyl)-1-pyrimidin-1-iumyl] ester hydroxide IUPAC Name: [2,6-diamino-4-(3-propan-2-ylpiperidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate hydroxide Traditional Name: sulfuric acid [2,6-diamino-4-(3-isopropylpiperidino)pyrimidin-1-ium-1-yl] ester hydroxide Formula: C12H23N5O5S MolecularWeight: 349.40652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCCN(C1)C2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N.[OH-]

Isomeric SMILES

CC(C)C1CCCN(C1)C2=CC(=[N+](C(=N2)N)OS(=O)(=O)O)N.[OH-]

InChI

InChI=1S/C12H21N5O4S.H2O/c1-8(2)9-4-3-5-16(7-9)11-6-10(13)17(12(14)15-11)21-22(18,19)20;/h6,8-9H,3-5,7H2,1-2H3,(H4,13,14,15,18,19,20);1H2