[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-cyclooctyl-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[NH2+]C1CCCCCCC1

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C1CCCCCCC1

InChI

InChI=1S/C16H29N3O/c1-13(2)16(3,12-17)19-15(20)11-18-14-9-7-5-4-6-8-10-14/h13-14,18H,4-11H2,1-3H3,(H,19,20)/p+1/t16-/m0/s1