ethyl (4R)-4-(2-chlorophenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(2-chlorophenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(2-chlorophenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(2-chlorophenyl)-6-[(4-ethyl-1-piperazin-4-iumyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(2-chlorophenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(2-chlorophenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H28ClN4O3+ MolecularWeight: 407.91432

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C(NC(=O)N2)C3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C([C@@H](NC(=O)N2)C3=CC=CC=C3Cl)C(=O)OCC

InChI

InChI=1S/C20H27ClN4O3/c1-3-24-9-11-25(12-10-24)13-16-17(19(26)28-4-2)18(23-20(27)22-16)14-7-5-6-8-15(14)21/h5-8,18H,3-4,9-13H2,1-2H3,(H2,22,23,27)/p+1/t18-/m0/s1