N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C16H23N6O+ MolecularWeight: 315.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H22N6O/c1-16(12-17,13-3-4-13)20-14(23)11-21-7-9-22(10-8-21)15-18-5-2-6-19-15/h2,5-6,13H,3-4,7-11H2,1H3,(H,20,23)/p+1/t16-/m0/s1