methyl 1-methyl-2-(propan-2-ylamino)pyrimidin-1-ium-5-carboxylate sulfate

Systemtic Name: methyl 1-methyl-2-(propan-2-ylamino)pyrimidin-1-ium-5-carboxylate sulfate Openeye Name: methyl 2-(isopropylamino)-1-methyl-pyrimidin-1-ium-5-carboxylate sulfate CAS Name: 1-methyl-2-(propan-2-ylamino)-5-pyrimidin-1-iumcarboxylic acid methyl ester sulfate IUPAC Name: methyl 1-methyl-2-(propan-2-ylamino)pyrimidin-1-ium-5-carboxylate sulfate Traditional Name: 2-(isopropylamino)-1-methyl-pyrimidin-1-ium-5-carboxylic acid methyl ester sulfate Formula: C10H16N3O6S- MolecularWeight: 306.31554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C=[N+]1C)C(=O)OC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(C)NC1=NC=C(C=[N+]1C)C(=O)OC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C10H15N3O2.H2O4S/c1-7(2)12-10-11-5-8(6-13(10)3)9(14)15-4;1-5(2,3)4/h5-7H,1-4H3;(H2,1,2,3,4)/p-1