[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate Openeye Name: [2-(cyclopentylamino)-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 [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridin-1-ium-2-carboxylate Traditional Name: 4-amino-3,5,6-trichloro-pyridin-1-ium-2-carboxylic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C13H15Cl3N3O3+ MolecularWeight: 367.6355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl

InChI

InChI=1S/C13H14Cl3N3O3/c14-8-10(17)9(15)12(16)19-11(8)13(21)22-5-7(20)18-6-3-1-2-4-6/h6H,1-5H2,(H2,17,19)(H,18,20)/p+1