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

Systemtic Name: cyclooctyl-[(1R)-1-(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Openeye Name: cyclooctyl-[(1R)-1-[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]ammonium CAS Name: cyclooctyl-[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium IUPAC Name: cyclooctyl-[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Traditional Name: cyclooctyl-[(1R)-1-[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]ethyl]ammonium Formula: C20H26N3OS2+ MolecularWeight: 388.56994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)[NH2+]C4CCCCCCC4

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)[NH2+]C4CCCCCCC4

InChI

InChI=1S/C20H25N3OS2/c1-13(21-14-8-5-3-2-4-6-9-14)18-22-19(24)17-15(12-26-20(17)23-18)16-10-7-11-25-16/h7,10-14,21H,2-6,8-9H2,1H3,(H,22,23,24)/p+1/t13-/m1/s1