[(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[2-(1H-imidazol-5-yl)ethylamino]-2-keto-ethyl]ammonium Formula: C14H19N4O+ MolecularWeight: 259.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCC2=CN=CN2)[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCC2=CN=CN2)[NH3+]

InChI

InChI=1S/C14H18N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h1-5,9-10,13H,6-8,15H2,(H,16,18)(H,17,19)/p+1/t13-/m0/s1