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

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C16H21N3O/c1-12(13-6-4-3-5-7-13)18-10-15(20)19-16(2,11-17)14-8-9-14/h3-7,12,14,18H,8-10H2,1-2H3,(H,19,20)/p+1/t12-,16-/m1/s1