[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+](CC1=CC=C(C=C1)OC)C2CC2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+](CC1=CC=C(C=C1)OC)C2CC2

InChI

InChI=1S/C19H27N3O2/c1-14(2)19(3,13-20)21-18(23)12-22(16-7-8-16)11-15-5-9-17(24-4)10-6-15/h5-6,9-10,14,16H,7-8,11-12H2,1-4H3,(H,21,23)/p+1/t19-/m0/s1