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

Systemtic Name: ethyl (4S)-6-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-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:

CCC1C(=C(NC(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)C(=O)OCC

InChI

InChI=1S/C20H27ClN4O3/c1-3-15-18(19(26)28-4-2)16(23-20(27)22-15)13-24-9-11-25(12-10-24)17-8-6-5-7-14(17)21/h5-8,15H,3-4,9-13H2,1-2H3,(H2,22,23,27)/p+1/t15-/m0/s1