methyl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-[(4-methoxyphenyl)methyl]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-[(4-methoxyphenyl)methyl]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-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-p-anisyl-piperazin-4-ium-1-carboxylic acid methyl ester Formula: C24H30N7O4+ MolecularWeight: 480.5395

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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)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)OC)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29N7O4/c1-17-12-22(28-23(27-17)30-9-8-26-16-30)31(15-18-4-6-20(34-2)7-5-18)11-10-29(24(33)35-3)14-19(31)13-21(25)32/h4-9,12,16,19H,10-11,13-15H2,1-3H3,(H-,25,32)/p+1