(4-cyanophenyl)methyl (2R)-4-[(4-cyanophenyl)methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: (4-cyanophenyl)methyl (2R)-4-[(4-cyanophenyl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: (4-cyanophenyl)methyl (2R)-4-[(4-cyanophenyl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(4-cyanophenyl)methyl]-2-thiomorpholin-4-iumcarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-4-[(4-cyanophenyl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-(4-cyanobenzyl)thiomorpholin-4-ium-2-carboxylic acid (4-cyanobenzyl) ester Formula: C21H20N3O2S+ MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(C[NH+]1CC2=CC=C(C=C2)C#N)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CS[C@H](C[NH+]1CC2=CC=C(C=C2)C#N)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O2S/c22-11-16-1-5-18(6-2-16)13-24-9-10-27-20(14-24)21(25)26-15-19-7-3-17(12-23)4-8-19/h1-8,20H,9-10,13-15H2/p+1/t20-/m1/s1