[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 4-amino-3,5,6-trichloro-pyridin-1-ium-2-carboxylate CAS Name: 4-amino-3,5,6-trichloro-2-pyridin-1-iumcarboxylic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 4-amino-3,5,6-trichloropyridin-1-ium-2-carboxylate Traditional Name: 4-amino-3,5,6-trichloro-pyridin-1-ium-2-carboxylic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C15H13Cl3N3O3+ MolecularWeight: 389.64102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl

InChI

InChI=1S/C15H12Cl3N3O3/c1-7(14(22)20-8-5-3-2-4-6-8)24-15(23)12-9(16)11(19)10(17)13(18)21-12/h2-7H,1H3,(H2,19,21)(H,20,22)/p+1/t7-/m1/s1