[(3R)-3-cyano-2-oxidanylidene-3-(4-phenyl-1,3-thiazol-2-yl)propyl]-cyclohexyl-methyl-azanium

Systemtic Name: [(3R)-3-cyano-2-oxidanylidene-3-(4-phenyl-1,3-thiazol-2-yl)propyl]-cyclohexyl-methyl-azanium Openeye Name: [(3R)-3-cyano-2-oxo-3-(4-phenylthiazol-2-yl)propyl]-cyclohexyl-methyl-ammonium CAS Name: [(3R)-3-cyano-2-oxo-3-(4-phenyl-2-thiazolyl)propyl]-cyclohexyl-methylammonium IUPAC Name: [(3R)-3-cyano-2-oxo-3-(4-phenyl-1,3-thiazol-2-yl)propyl]-cyclohexyl-methylazanium Traditional Name: [(3R)-3-cyano-2-keto-3-(4-phenylthiazol-2-yl)propyl]-cyclohexyl-methyl-ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)C(C#N)C1=NC(=CS1)C2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

C[NH+](CC(=O)[C@@H](C#N)C1=NC(=CS1)C2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C20H23N3OS/c1-23(16-10-6-3-7-11-16)13-19(24)17(12-21)20-22-18(14-25-20)15-8-4-2-5-9-15/h2,4-5,8-9,14,16-17H,3,6-7,10-11,13H2,1H3/p+1/t17-/m1/s1