cyclooctyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium

Systemtic Name: cyclooctyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Openeye Name: cyclooctyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium CAS Name: cyclooctyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium IUPAC Name: cyclooctyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclooctyl-ammonium Formula: C18H32N3O3+ MolecularWeight: 338.46498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH2+]C2CCCCCCC2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH2+]C2CCCCCCC2)C(=O)OCC

InChI

InChI=1S/C18H31N3O3/c1-3-14-16(17(22)24-4-2)15(21-18(23)20-14)12-19-13-10-8-6-5-7-9-11-13/h13-14,19H,3-12H2,1-2H3,(H2,20,21,23)/p+1/t14-/m0/s1