methyl (6R)-3-cyclopropyl-2-oxidanylidene-4-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-cyclopropyl-2-oxidanylidene-4-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-cyclopropyl-4-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-cyclopropyl-4-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-cyclopropyl-4-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-cyclopropyl-4-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)C[NH+]4CCCC(C4)O

Isomeric SMILES

COC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC=CC=C2)C3CC3)C[NH+]4CCC[C@@H](C4)O

InChI

InChI=1S/C21H27N3O4/c1-28-20(26)18-17(13-23-11-5-8-16(25)12-23)24(15-9-10-15)21(27)22-19(18)14-6-3-2-4-7-14/h2-4,6-7,15-16,19,25H,5,8-13H2,1H3,(H,22,27)/p+1/t16-,19+/m0/s1