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

Systemtic Name: ethyl (4S)-4-ethyl-6-[[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H34N5O5+ MolecularWeight: 424.51446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN2CC[NH+](CC2)CC(=O)N3CCOCC3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN2CC[NH+](CC2)CC(=O)N3CCOCC3)C(=O)OCC

InChI

InChI=1S/C20H33N5O5/c1-3-15-18(19(27)30-4-2)16(22-20(28)21-15)13-23-5-7-24(8-6-23)14-17(26)25-9-11-29-12-10-25/h15H,3-14H2,1-2H3,(H2,21,22,28)/p+1/t15-/m0/s1