propan-2-yl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: propan-2-yl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: isopropyl 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-4-p-anisyl-piperazin-4-ium-1-carboxylic acid isopropyl ester Formula: C25H32N7O4+ MolecularWeight: 494.56608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OC)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CC(C)OC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OC)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C25H31N7O4/c1-18(2)36-25(34)30-12-13-32(20(15-30)14-22(26)33,16-19-4-6-21(35-3)7-5-19)23-8-9-28-24(29-23)31-11-10-27-17-31/h4-11,17-18,20H,12-16H2,1-3H3,(H-,26,33)/p+1