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

Systemtic Name: ethyl (4S)-6-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[4-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C)C(=O)OCC

InChI

InChI=1S/C22H32N4O3/c1-5-17-20(21(27)29-6-2)18(24-22(28)23-17)14-25-10-12-26(13-11-25)19-9-7-8-15(3)16(19)4/h7-9,17H,5-6,10-14H2,1-4H3,(H2,23,24,28)/p+1/t17-/m0/s1