[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-(2,6-diisopropylanilino)-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-(2,6-diisopropylanilino)-2-keto-ethyl] ester Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N

InChI

InChI=1S/C20H25N3O3/c1-12(2)14-7-5-8-15(13(3)4)18(14)23-17(24)11-26-20(25)16-9-6-10-22-19(16)21/h5-10,12-13H,11H2,1-4H3,(H2,21,22)(H,23,24)/p+1