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

Systemtic Name: ethyl (4S)-6-[(4-aminocarbonylpiperidin-1-ium-1-yl)methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(4-carbamoyl-1-piperidin-1-iumyl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-carbamoylpiperidin-1-ium-1-yl)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H27N4O4+ MolecularWeight: 339.40998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+]2CCC(CC2)C(=O)N)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+]2CCC(CC2)C(=O)N)C(=O)OCC

InChI

InChI=1S/C16H26N4O4/c1-3-11-13(15(22)24-4-2)12(19-16(23)18-11)9-20-7-5-10(6-8-20)14(17)21/h10-11H,3-9H2,1-2H3,(H2,17,21)(H2,18,19,23)/p+1/t11-/m0/s1