[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-(cyclohexylmethyl)-methyl-azanium

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-(cyclohexylmethyl)-methyl-azanium Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-(cyclohexylmethyl)-methyl-ammonium CAS Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-(cyclohexylmethyl)-methylammonium IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-(cyclohexylmethyl)-methylazanium Traditional Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-(cyclohexylmethyl)-methyl-ammonium Formula: C16H30N3O+ MolecularWeight: 280.4289

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+](C)CC1CCCCC1

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)CC1CCCCC1

InChI

InChI=1S/C16H29N3O/c1-13(2)16(3,12-17)18-15(20)11-19(4)10-14-8-6-5-7-9-14/h13-14H,5-11H2,1-4H3,(H,18,20)/p+1/t16-/m1/s1