N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-[2-(4-methylphenyl)ethyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]acetamide Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C22H33N3O/c1-17(2)22(4,16-23)24-21(26)15-25-13-11-20(12-14-25)10-9-19-7-5-18(3)6-8-19/h5-8,17,20H,9-15H2,1-4H3,(H,24,26)/p+1/t22-/m1/s1