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

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-methyl-(o-tolylmethyl)ammonium CAS Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C17H25N3O/c1-13(2)17(4,12-18)19-16(21)11-20(5)10-15-9-7-6-8-14(15)3/h6-9,13H,10-11H2,1-5H3,(H,19,21)/p+1/t17-/m1/s1