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

Systemtic Name: ethyl (4S)-4-methyl-2-oxidanylidene-6-[[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-methyl-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-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-2-oxo-6-[[4-(phenylcarbamoyl)piperidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-methyl-6-[[4-(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+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O4/c1-3-29-20(27)18-14(2)22-21(28)24-17(18)13-25-11-9-15(10-12-25)19(26)23-16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,23,26)(H2,22,24,28)/p+1/t14-/m0/s1