methyl 1-[[5-(4-bromophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[5-(4-bromophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[5-(4-bromophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(4-bromophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H21BrN3O3S+ MolecularWeight: 463.36804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

InChI

InChI=1S/C20H20BrN3O3S/c1-27-20(26)13-6-8-24(9-7-13)10-16-22-18(25)17-15(11-28-19(17)23-16)12-2-4-14(21)5-3-12/h2-5,11,13H,6-10H2,1H3,(H,22,23,25)/p+1