[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-azanylpyrazin-4-ium-2-carboxylate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-azanylpyrazin-4-ium-2-carboxylate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-aminopyrazin-4-ium-2-carboxylate CAS Name: 3-amino-2-pyrazin-4-iumcarboxylic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-aminopyrazin-4-ium-2-carboxylate Traditional Name: 3-aminopyrazin-4-ium-2-carboxylic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C15H14N5O3+ MolecularWeight: 312.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=NC=C[NH+]=C2N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=NC=C[NH+]=C2N

InChI

InChI=1S/C15H13N5O3/c1-9(23-15(22)12-13(17)19-7-6-18-12)14(21)20-11-5-3-2-4-10(11)8-16/h2-7,9H,1H3,(H2,17,19)(H,20,21)/p+1/t9-/m1/s1