[(2S)-1-[(3-ethynylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3-ethynylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(3-ethynylphenyl)carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-(3-ethynylanilino)-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(3-ethynylanilino)-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(3-ethynylphenyl)carbamoyl]-2-methyl-propyl]ammonium Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)C#C)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=CC(=C1)C#C)[NH3+]

InChI

InChI=1S/C13H16N2O/c1-4-10-6-5-7-11(8-10)15-13(16)12(14)9(2)3/h1,5-9,12H,14H2,2-3H3,(H,15,16)/p+1/t12-/m0/s1