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

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-m-anisyl-methyl-ammonium Formula: C17H26N3O2+ MolecularWeight: 304.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)CC1=CC(=CC=C1)OC

InChI

InChI=1S/C17H25N3O2/c1-13(2)17(3,12-18)19-16(21)11-20(4)10-14-7-6-8-15(9-14)22-5/h6-9,13H,10-11H2,1-5H3,(H,19,21)/p+1/t17-/m1/s1