[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-azanylpyrazin-4-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-azanylpyrazin-4-ium-2-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-aminopyrazin-4-ium-2-carboxylate CAS Name: 3-amino-2-pyrazin-4-iumcarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-aminopyrazin-4-ium-2-carboxylate Traditional Name: 3-aminopyrazin-4-ium-2-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C16H18N3O3+ MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=NC=C[NH+]=C2N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=NC=C[NH+]=C2N)C)C

InChI

InChI=1S/C16H17N3O3/c1-9-6-11(3)12(7-10(9)2)13(20)8-22-16(21)14-15(17)19-5-4-18-14/h4-7H,8H2,1-3H3,(H2,17,19)/p+1