(2R)-4-(4-cyclohexylphenyl)-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-(4-cyclohexylphenyl)-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-cyclohexylphenyl)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(4-cyclohexylphenyl)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(4-cyclohexylphenyl)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(4-cyclohexylphenyl)-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CC(C(=O)[O-])[NH2+]CC3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[C@H](C(=O)[O-])[NH2+]CC3=CN=CC=C3

InChI

InChI=1S/C22H26N2O3/c25-21(13-20(22(26)27)24-15-16-5-4-12-23-14-16)19-10-8-18(9-11-19)17-6-2-1-3-7-17/h4-5,8-12,14,17,20,24H,1-3,6-7,13,15H2,(H,26,27)/t20-/m1/s1