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

Systemtic Name: ethyl (4R)-4-methyl-2-oxidanylidene-6-[[(3S)-3-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-methyl-2-oxo-6-[[(3S)-3-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[(3S)-3-[anilino(oxo)methyl]-1-piperidin-1-iumyl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-methyl-2-oxo-6-[[(3S)-3-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-4-methyl-6-[[(3S)-3-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O4/c1-3-29-20(27)18-14(2)22-21(28)24-17(18)13-25-11-7-8-15(12-25)19(26)23-16-9-5-4-6-10-16/h4-6,9-10,14-15H,3,7-8,11-13H2,1-2H3,(H,23,26)(H2,22,24,28)/p+1/t14-,15+/m1/s1