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

Systemtic Name: ethyl (4R)-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C[NH+]3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)C

InChI

InChI=1S/C20H27N3O3/c1-3-26-19(24)17-16(13-23-11-7-8-14(2)12-23)21-20(25)22-18(17)15-9-5-4-6-10-15/h4-6,9-10,14,18H,3,7-8,11-13H2,1-2H3,(H2,21,22,25)/p+1/t14-,18+/m0/s1