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

Systemtic Name: [2,6-bis(azanyl)-4-(3-propan-2-ylpiperidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Openeye Name: [2,6-diamino-4-(3-isopropyl-1-piperidyl)pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2,6-diamino-4-(3-propan-2-yl-1-piperidinyl)-1-pyrimidin-1-iumyl] ester IUPAC Name: [2,6-diamino-4-(3-propan-2-ylpiperidin-1-yl)pyrimidin-1-ium-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [2,6-diamino-4-(3-isopropylpiperidino)pyrimidin-1-ium-1-yl] ester Formula: C12H22N5O4S+ MolecularWeight: 332.39918

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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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N5O4S/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)/p+1