(2R)-2-acetamido-6-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)hexanoate

Systemtic Name: (2R)-2-acetamido-6-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)hexanoate Openeye Name: (2R)-2-acetamido-6-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)hexanoate CAS Name: (2R)-2-acetamido-6-(2,6-dimethyl-4-phenyl-1-pyridin-1-iumyl)hexanoate IUPAC Name: (2R)-2-acetamido-6-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)hexanoate Traditional Name: (2R)-2-acetamido-6-(2,6-dimethyl-4-phenyl-pyridin-1-ium-1-yl)hexanoate Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCCCC(C(=O)[O-])NC(=O)C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCCC[C@H](C(=O)[O-])NC(=O)C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3/c1-15-13-19(18-9-5-4-6-10-18)14-16(2)23(15)12-8-7-11-20(21(25)26)22-17(3)24/h4-6,9-10,13-14,20H,7-8,11-12H2,1-3H3,(H-,22,24,25,26)/t20-/m1/s1