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

Systemtic Name: ethyl (4S)-6-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(3S)-3-carbethoxypiperidin-1-ium-1-yl]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H30N3O5+ MolecularWeight: 368.4479

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+]2CCCC(C2)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+]2CCC[C@@H](C2)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C18H29N3O5/c1-4-13-15(17(23)26-6-3)14(20-18(24)19-13)11-21-9-7-8-12(10-21)16(22)25-5-2/h12-13H,4-11H2,1-3H3,(H2,19,20,24)/p+1/t12-,13-/m0/s1