methyl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: methyl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: methyl 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[1-(4-methoxyphenyl)ethyl]-1-piperazin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[1-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carboxylic acid methyl ester Formula: C25H32N7O4+ MolecularWeight: 494.56608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)OC)C(C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)OC)C(C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31N7O4/c1-17-13-23(29-24(28-17)31-10-9-27-16-31)32(18(2)19-5-7-21(35-3)8-6-19)12-11-30(25(34)36-4)15-20(32)14-22(26)33/h5-10,13,16,18,20H,11-12,14-15H2,1-4H3,(H-,26,33)/p+1