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

Systemtic Name: ethyl 1-[(1R)-1-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-1-[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-1-[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C20H23N3O3S2/c1-3-26-20(25)13-6-8-23(9-7-13)12(2)17-21-18(24)16-14(11-28-19(16)22-17)15-5-4-10-27-15/h4-5,10-13H,3,6-9H2,1-2H3,(H,21,22,24)/p+1/t12-/m1/s1