[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylazanium Traditional Name: benzyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-ethyl-ammonium Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O/c1-3-20(11-14-7-5-4-6-8-14)12-16(21)19-17(2,13-18)15-9-10-15/h4-8,15H,3,9-12H2,1-2H3,(H,19,21)/p+1/t17-/m1/s1