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

Systemtic Name: ethyl (4S)-6-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[4-(2-ethoxyphenyl)-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-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=C3OCC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=C3OCC)C(=O)OCC

InChI

InChI=1S/C22H32N4O4/c1-4-16-20(21(27)30-6-3)17(24-22(28)23-16)15-25-11-13-26(14-12-25)18-9-7-8-10-19(18)29-5-2/h7-10,16H,4-6,11-15H2,1-3H3,(H2,23,24,28)/p+1/t16-/m0/s1