N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C17H27N5O+2 MolecularWeight: 317.42918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C17H25N5O/c1-14(2)17(3,13-18)20-16(23)12-21-8-10-22(11-9-21)15-6-4-5-7-19-15/h4-7,14H,8-12H2,1-3H3,(H,20,23)/p+2/t17-/m0/s1