[(2S)-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(2-methyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-(2-methyl-2-imidazolin-1-ium-1-yl)ethyl]ammonium Formula: C13H19N3O+2 MolecularWeight: 233.30946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](CCN1)C(=O)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC1=[N+](CCN1)C(=O)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C13H17N3O/c1-10-15-7-8-16(10)13(17)12(14)9-11-5-3-2-4-6-11/h2-6,12H,7-9,14H2,1H3/p+2/t12-/m0/s1