methyl 3-methyl-2-(propan-2-ylamino)pyrimidin-3-ium-4-carboxylate

Systemtic Name: methyl 3-methyl-2-(propan-2-ylamino)pyrimidin-3-ium-4-carboxylate Openeye Name: methyl 2-(isopropylamino)-3-methyl-pyrimidin-3-ium-4-carboxylate CAS Name: 3-methyl-2-(propan-2-ylamino)-4-pyrimidin-3-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-(propan-2-ylamino)pyrimidin-3-ium-4-carboxylate Traditional Name: 2-(isopropylamino)-3-methyl-pyrimidin-3-ium-4-carboxylic acid methyl ester Formula: C10H16N3O2+ MolecularWeight: 210.25294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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