tert-butyl 4-(3-cyano-6-pyrazin-4-ium-2-yl-pyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-cyano-6-pyrazin-4-ium-2-yl-pyridin-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-cyano-6-pyrazin-4-ium-2-yl-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-[3-cyano-6-(2-pyrazin-4-iumyl)-2-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-cyano-6-pyrazin-4-ium-2-ylpyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-cyano-6-pyrazin-4-ium-2-yl-2-pyridyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H23N6O2+ MolecularWeight: 367.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=N2)C3=NC=C[NH+]=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=N2)C3=NC=C[NH+]=C3)C#N

InChI

InChI=1S/C19H22N6O2/c1-19(2,3)27-18(26)25-10-8-24(9-11-25)17-14(12-20)4-5-15(23-17)16-13-21-6-7-22-16/h4-7,13H,8-11H2,1-3H3/p+1