[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]azanium Traditional Name: benzyl-[(1S)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl]ammonium Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)[NH2+]CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1(CCCCC1)C#N)[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O/c1-14(19-12-15-8-4-2-5-9-15)16(21)20-17(13-18)10-6-3-7-11-17/h2,4-5,8-9,14,19H,3,6-7,10-12H2,1H3,(H,20,21)/p+1/t14-/m0/s1