[(2S)-butan-2-yl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate

Systemtic Name: [(2S)-butan-2-yl] 4-azanyl-3,5,6-tris(chloranyl)pyridin-1-ium-2-carboxylate Openeye Name: [(1S)-1-methylpropyl] 4-amino-3,5,6-trichloro-pyridin-1-ium-2-carboxylate CAS Name: 4-amino-3,5,6-trichloro-2-pyridin-1-iumcarboxylic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-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 [(1S)-1-methylpropyl] ester Formula: C10H12Cl3N2O2+ MolecularWeight: 298.57348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=[NH+]C(=C(C(=C1Cl)N)Cl)Cl

Isomeric SMILES

CC[C@H](C)OC(=O)C1=[NH+]C(=C(C(=C1Cl)N)Cl)Cl

InChI

InChI=1S/C10H11Cl3N2O2/c1-3-4(2)17-10(16)8-5(11)7(14)6(12)9(13)15-8/h4H,3H2,1-2H3,(H2,14,15)/p+1/t4-/m0/s1