[(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]-(3-ethynylphenyl)azanium

Systemtic Name: [(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]-(3-ethynylphenyl)azanium Openeye Name: [(1S)-2-(dimethylamino)-1-methyl-2-oxo-ethyl]-(3-ethynylphenyl)ammonium CAS Name: [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-(3-ethynylphenyl)ammonium IUPAC Name: [(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-(3-ethynylphenyl)azanium Traditional Name: [(1S)-2-(dimethylamino)-2-keto-1-methyl-ethyl]-(3-ethynylphenyl)ammonium Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O/c1-5-11-7-6-8-12(9-11)14-10(2)13(16)15(3)4/h1,6-10,14H,2-4H3/p+1/t10-/m0/s1