ethyl (4S)-4-methyl-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-methyl-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-methyl-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-methyl-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-methyl-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)-2-keto-6-[[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]methyl]-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H32N5O5+ MolecularWeight: 410.48788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CN2CC[NH+](CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CN2CC[NH+](CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C19H31N5O5/c1-3-29-18(26)17-14(2)20-19(27)21-15(17)12-22-4-6-23(7-5-22)13-16(25)24-8-10-28-11-9-24/h14H,3-13H2,1-2H3,(H2,20,21,27)/p+1/t14-/m0/s1