[5-[[5-(2-carboxyoxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-yl]carbamic acid

Systemtic Name: [5-[[5-(2-carboxyoxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-yl]carbamic acid Openeye Name: [5-[[5-(2-carboxyoxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-yl]carbamic acid CAS Name: [5-[[5-(2-carboxyoxyethyl)-4-methyl-3-thiazol-3-iumyl]methyl]-2-methyl-4-pyrimidinyl]carbamic acid IUPAC Name: [5-[[5-(2-carboxyoxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-yl]carbamic acid Traditional Name: [5-[[5-(2-carboxyoxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-pyrimidin-4-yl]carbamic acid Formula: C14H17N4O5S+ MolecularWeight: 353.37358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(N=C2NC(=O)O)C)CCOC(=O)O

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2NC(=O)O)C)CCOC(=O)O

InChI

InChI=1S/C14H16N4O5S/c1-8-11(3-4-23-14(21)22)24-7-18(8)6-10-5-15-9(2)16-12(10)17-13(19)20/h5,7H,3-4,6H2,1-2H3,(H2-,15,16,17,19,20,21,22)/p+1