ethyl (2R)-2-aminocarbonyl-2-ethanoyl-3,6-dimethyl-5-phenyl-1H-pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl (2R)-2-aminocarbonyl-2-ethanoyl-3,6-dimethyl-5-phenyl-1H-pyridin-1-ium-4-carboxylate Openeye Name: ethyl (2R)-2-acetyl-2-carbamoyl-3,6-dimethyl-5-phenyl-1H-pyridin-1-ium-4-carboxylate CAS Name: (2R)-2-acetyl-2-carbamoyl-3,6-dimethyl-5-phenyl-1H-pyridin-1-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl (2R)-2-acetyl-2-carbamoyl-3,6-dimethyl-5-phenyl-1H-pyridin-1-ium-4-carboxylate Traditional Name: (2R)-2-acetyl-2-carbamoyl-3,6-dimethyl-5-phenyl-1H-pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C19H23N2O4+ MolecularWeight: 343.39692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C([NH2+]C(=C1C2=CC=CC=C2)C)(C(=O)C)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C([C@@]([NH2+]C(=C1C2=CC=CC=C2)C)(C(=O)C)C(=O)N)C

InChI

InChI=1S/C19H22N2O4/c1-5-25-17(23)15-11(2)19(13(4)22,18(20)24)21-12(3)16(15)14-9-7-6-8-10-14/h6-10,21H,5H2,1-4H3,(H2,20,24)/p+1/t19-/m1/s1