(3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl) (2R)-2-cyclohexyl-3-oxidanyl-2-phenyl-propanoate

Systemtic Name: (3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl) (2R)-2-cyclohexyl-3-oxidanyl-2-phenyl-propanoate Openeye Name: (3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl) (2R)-2-cyclohexyl-3-hydroxy-2-phenyl-propanoate CAS Name: (2R)-2-cyclohexyl-3-hydroxy-2-phenylpropanoic acid (3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl) ester IUPAC Name: (3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl) (2R)-2-cyclohexyl-3-hydroxy-2-phenylpropanoate Traditional Name: (2R)-2-cyclohexyl-3-hydroxy-2-phenyl-propionic acid (3-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl) ester Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NCCC1)OC(=O)C(CO)(C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(NCCC1)OC(=O)[C@](CO)(C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H28N2O3/c1-22-14-8-13-21-19(22)25-18(24)20(15-23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,23H,3,6-8,11-15H2,1H3/p+1/t20-/m0/s1