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

Systemtic Name: [(2S)-1-(diethylamino)-1-oxidanylidene-propan-2-yl]-(3-ethynylphenyl)azanium Openeye Name: [(1S)-2-(diethylamino)-1-methyl-2-oxo-ethyl]-(3-ethynylphenyl)ammonium CAS Name: [(2S)-1-(diethylamino)-1-oxopropan-2-yl]-(3-ethynylphenyl)ammonium IUPAC Name: [(2S)-1-(diethylamino)-1-oxopropan-2-yl]-(3-ethynylphenyl)azanium Traditional Name: [(1S)-2-(diethylamino)-2-keto-1-methyl-ethyl]-(3-ethynylphenyl)ammonium Formula: C15H21N2O+ MolecularWeight: 245.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O/c1-5-13-9-8-10-14(11-13)16-12(4)15(18)17(6-2)7-3/h1,8-12,16H,6-7H2,2-4H3/p+1/t12-/m0/s1