[(1S)-1-(3,4-dimethylphenyl)-2-(2-oxidanylidenepyrimidin-1-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(3,4-dimethylphenyl)-2-(2-oxidanylidenepyrimidin-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(3,4-dimethylphenyl)-2-(2-oxopyrimidin-1-yl)ethyl]ammonium CAS Name: [(1S)-1-(3,4-dimethylphenyl)-2-(2-oxo-1-pyrimidinyl)ethyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethylphenyl)-2-(2-oxopyrimidin-1-yl)ethyl]azanium Traditional Name: [(1S)-1-(3,4-dimethylphenyl)-2-(2-ketopyrimidin-1-yl)ethyl]ammonium Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CN2C=CC=NC2=O)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](CN2C=CC=NC2=O)[NH3+])C

InChI

InChI=1S/C14H17N3O/c1-10-4-5-12(8-11(10)2)13(15)9-17-7-3-6-16-14(17)18/h3-8,13H,9,15H2,1-2H3/p+1/t13-/m1/s1