phenyl 2-(2-azanyl-2-oxidanylidene-ethyl)-1-(furan-2-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-1-carboxylate

Systemtic Name: phenyl 2-(2-azanyl-2-oxidanylidene-ethyl)-1-(furan-2-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-1-carboxylate Openeye Name: phenyl 2-(2-amino-2-oxo-ethyl)-1-(2-furylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-1-carboxylate CAS Name: 2-(2-amino-2-oxoethyl)-1-(2-furanylmethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-piperazin-1-iumcarboxylic acid phenyl ester IUPAC Name: phenyl 2-(2-amino-2-oxoethyl)-1-(furan-2-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-1-carboxylate Traditional Name: 2-(2-amino-2-keto-ethyl)-1-(2-furfuryl)-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-1-carboxylic acid phenyl ester Formula: C25H26N7O4+ MolecularWeight: 488.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(CN1C2=NC(=NC=C2)N3C=CN=C3)CC(=O)N)(CC4=CC=CO4)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1C[N+](C(CN1C2=NC(=NC=C2)N3C=CN=C3)CC(=O)N)(CC4=CC=CO4)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C25H25N7O4/c26-22(33)15-19-16-30(23-8-9-28-24(29-23)31-11-10-27-18-31)12-13-32(19,17-21-7-4-14-35-21)25(34)36-20-5-2-1-3-6-20/h1-11,14,18-19H,12-13,15-17H2,(H-,26,33)/p+1