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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(furan-2-ylmethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-(2-furylmethyl)ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2-furanylmethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-(furan-2-ylmethyl)azanium Traditional Name: benzyl-[[(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-(2-furfuryl)ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](CC2=CC=CC=C2)CC3=CC=CO3)C(=O)OCC

InChI

InChI=1S/C22H27N3O4/c1-3-18-20(21(26)28-4-2)19(24-22(27)23-18)15-25(14-17-11-8-12-29-17)13-16-9-6-5-7-10-16/h5-12,18H,3-4,13-15H2,1-2H3,(H2,23,24,27)/p+1/t18-/m0/s1