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

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[4-[anilino(oxo)methyl]-1-piperidin-1-iumyl]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H30N4O4/c1-3-17-19(21(28)30-4-2)18(25-22(29)24-17)14-26-12-10-15(11-13-26)20(27)23-16-8-6-5-7-9-16/h5-9,15,17H,3-4,10-14H2,1-2H3,(H,23,27)(H2,24,25,29)/p+1/t17-/m0/s1