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

Systemtic Name: [2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate Openeye Name: [2-(4-methyl-1-piperidyl)-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-(4-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylpiperidin-1-yl)-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-keto-2-(4-methylpiperidino)ethyl] ester Formula: C14H17Cl3N3O3+ MolecularWeight: 381.66208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl

Isomeric SMILES

CC1CCN(CC1)C(=O)COC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl

InChI

InChI=1S/C14H16Cl3N3O3/c1-7-2-4-20(5-3-7)8(21)6-23-14(22)12-9(15)11(18)10(16)13(17)19-12/h7H,2-6H2,1H3,(H2,18,19)/p+1