1-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+]1CCC(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O2/c1-15(2)20(3,14-21)23-18(25)13-24-11-9-16(10-12-24)19(26)22-17-7-5-4-6-8-17/h4-8,15-16H,9-13H2,1-3H3,(H,22,26)(H,23,25)/p+1/t20-/m0/s1